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Pyrroles

Pyrroles

Aromatic organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms and one nitrogen atom that forms an amine functional group.
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1 – 15 of 531 results
1

ER 50891, Tocris Bioscience™
GREENER_CHOICE

CAS: 187400-85-7 Molecular Formula: C29H24N2O2 Molecular Weight (g/mol): 432.523 InChI Key: LSGNKLDHMQVTEK-UHFFFAOYSA-N Synonym: chembl20066,4-5-4-phenyl-8-isopropyl-2-quinolinyl-2-pyrrolyl benzoic acid,4-5-8-isopropyl-4-phenyl-quinolin-2-yl-1h-pyrrol-2-yl-benzoic acid,4-5-8-1-methylethyl-4-phenyl-2-quinolinyl-1h-pyrrolo-2-benzoic acid PubChem CID: 10094345 IUPAC Name: 4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid SMILES: CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O

PubChem CID 10094345
CAS 187400-85-7
Molecular Weight (g/mol) 432.523
SMILES CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O
Synonym chembl20066,4-5-4-phenyl-8-isopropyl-2-quinolinyl-2-pyrrolyl benzoic acid,4-5-8-isopropyl-4-phenyl-quinolin-2-yl-1h-pyrrol-2-yl-benzoic acid,4-5-8-1-methylethyl-4-phenyl-2-quinolinyl-1h-pyrrolo-2-benzoic acid
IUPAC Name 4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acid
InChI Key LSGNKLDHMQVTEK-UHFFFAOYSA-N
Molecular Formula C29H24N2O2
2

UK 5099, Tocris Bioscience™
GREENER_CHOICE

CAS: 56396-35-1 Molecular Formula: C18H11N2O2- Molecular Weight (g/mol): 287.298 InChI Key: BIZNHCWFGNKBBZ-JLHYYAGUSA-M Synonym: 2-cyano-3-1-phenyl-1h-indol-3-yl-2-propenoic acid,2e-2-cyano-3-1-phenylindol-3-yl prop-2-enoate PubChem CID: 71772548 IUPAC Name: (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoate SMILES: C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)[O-]

PubChem CID 71772548
CAS 56396-35-1
Molecular Weight (g/mol) 287.298
SMILES C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)[O-]
Synonym 2-cyano-3-1-phenyl-1h-indol-3-yl-2-propenoic acid,2e-2-cyano-3-1-phenylindol-3-yl prop-2-enoate
IUPAC Name (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoate
InChI Key BIZNHCWFGNKBBZ-JLHYYAGUSA-M
Molecular Formula C18H11N2O2-
3

5-Bromoindole-3-carboxylic Acid 98.0+%, TCI America™
SDP

CAS: 10406-06-1 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 MDL Number: MFCD05664007 InChI Key: JVZMBSGNSAHFCY-UHFFFAOYSA-N Synonym: 5-bromoindole-3-carboxylic acid,5-bromo-indole-3-carboxylic acid,5-bromo-3-indolecarboxylic acid,1h-indole-3-carboxylic acid,5-bromo,1h-indole-3-carboxylic acid, 5-bromo,5-bromo-1h-indole-3-carboxylicacid,pubchem7982,acmc-1btmm,ksc173q4r,5-bromo-3-indolecarboxylicacid PubChem CID: 7018243 IUPAC Name: 5-bromo-1H-indole-3-carboxylic acid SMILES: C1=CC2=C(C=C1Br)C(=CN2)C(=O)O

PubChem CID 7018243
CAS 10406-06-1
Molecular Weight (g/mol) 240.056
MDL Number MFCD05664007
SMILES C1=CC2=C(C=C1Br)C(=CN2)C(=O)O
Synonym 5-bromoindole-3-carboxylic acid,5-bromo-indole-3-carboxylic acid,5-bromo-3-indolecarboxylic acid,1h-indole-3-carboxylic acid,5-bromo,1h-indole-3-carboxylic acid, 5-bromo,5-bromo-1h-indole-3-carboxylicacid,pubchem7982,acmc-1btmm,ksc173q4r,5-bromo-3-indolecarboxylicacid
IUPAC Name 5-bromo-1H-indole-3-carboxylic acid
InChI Key JVZMBSGNSAHFCY-UHFFFAOYSA-N
Molecular Formula C9H6BrNO2
4

Atorvastatin Acetonide tert-Butyl Ester 98.0+%, TCI America™
SDP

CAS: 125971-95-1 Molecular Formula: C40H47FN2O5 Molecular Weight (g/mol): 654.823 MDL Number: MFCD04039904 InChI Key: NPPZOMYSGNZDKY-ROJLCIKYSA-N Synonym: Atorvastatin Acetonide tert-Butyl Ester PubChem CID: 10168503 IUPAC Name: tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate SMILES: CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

PubChem CID 10168503
CAS 125971-95-1
Molecular Weight (g/mol) 654.823
MDL Number MFCD04039904
SMILES CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
Synonym Atorvastatin Acetonide tert-Butyl Ester
IUPAC Name tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI Key NPPZOMYSGNZDKY-ROJLCIKYSA-N
Molecular Formula C40H47FN2O5
5

3-(1H-Pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 61471-45-2 Molecular Formula: C11H8NO2 Molecular Weight (g/mol): 186.19 MDL Number: MFCD02656610 InChI Key: PODFNQCZFHLJPH-UHFFFAOYSA-M PubChem CID: 736537 SMILES: [O-]C(=O)C1=CC=CC(=C1)N1C=CC=C1

PubChem CID 736537
CAS 61471-45-2
Molecular Weight (g/mol) 186.19
MDL Number MFCD02656610
SMILES [O-]C(=O)C1=CC=CC(=C1)N1C=CC=C1
InChI Key PODFNQCZFHLJPH-UHFFFAOYSA-M
Molecular Formula C11H8NO2
6

2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 92028-57-4 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.25 MDL Number: MFCD01125264 InChI Key: ZLYUUANOICYAAL-UHFFFAOYSA-N Synonym: 2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 292956 IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid SMILES: CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O

PubChem CID 292956
CAS 92028-57-4
Molecular Weight (g/mol) 215.25
MDL Number MFCD01125264
SMILES CC1=CC=C(C)N1C1=CC=CC=C1C(O)=O
Synonym 2-2,5-dimethyl-1h-pyrrol-1-yl benzoic acid,2-2,5-dimethylpyrrol-1-yl benzoic acid,2-2,5-dimethyl-1-pyrrolyl benzoic acid,2-2,5-dimethyl-pyrrol-1-yl-benzoic acid,2-2,5-dimethylpyrrolyl benzoic acid,cbmicro_048042,benzoic acid,2-2,5-dimethyl-1h-pyrrol-1-yl
IUPAC Name 2-(2,5-dimethylpyrrol-1-yl)benzoic acid
InChI Key ZLYUUANOICYAAL-UHFFFAOYSA-N
Molecular Formula C13H13NO2
7

(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein 98.0+%, TCI America™
SDP

CAS: 93957-50-7 Molecular Formula: C20H18FNO Molecular Weight (g/mol): 307.368 MDL Number: MFCD03840863 InChI Key: DVWHSTKQJBIYCK-VMPITWQZSA-N Synonym: (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal PubChem CID: 9926593 IUPAC Name: (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal SMILES: CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F

PubChem CID 9926593
CAS 93957-50-7
Molecular Weight (g/mol) 307.368
MDL Number MFCD03840863
SMILES CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F
Synonym (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal
IUPAC Name (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
InChI Key DVWHSTKQJBIYCK-VMPITWQZSA-N
Molecular Formula C20H18FNO
8

Indole-3-carboxylic Acid 98.0+%, TCI America™
SDP

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

PubChem CID 69867
CAS 771-50-6
Molecular Weight (g/mol) 161.16
ChEBI CHEBI:24809
MDL Number MFCD00005624
SMILES C1=CC=C2C(=C1)C(=CN2)C(=O)O
Synonym indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico
IUPAC Name 1H-indole-3-carboxylic acid
InChI Key KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular Formula C9H7NO2
9

Pyrrole-3-carboxylic acid hydrate, 95%, Thermo Scientific Chemicals

CAS: 336100-46-0 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.10 MDL Number: MFCD06201862 InChI Key: DOYOPBSXEIZLRE-UHFFFAOYSA-N Synonym: pyrrole-3-carboxylic acid hydrate,1h-pyrrole-3-carboxylic acid hydrate,c5h5no2.h2o,1h-pyrrole-3-carboxylicacid, hydrate 1:? PubChem CID: 45076181 IUPAC Name: 1H-pyrrole-3-carboxylic acid;hydrate SMILES: OC(=O)C1=CNC=C1

PubChem CID 45076181
CAS 336100-46-0
Molecular Weight (g/mol) 111.10
MDL Number MFCD06201862
SMILES OC(=O)C1=CNC=C1
Synonym pyrrole-3-carboxylic acid hydrate,1h-pyrrole-3-carboxylic acid hydrate,c5h5no2.h2o,1h-pyrrole-3-carboxylicacid, hydrate 1:?
IUPAC Name 1H-pyrrole-3-carboxylic acid;hydrate
InChI Key DOYOPBSXEIZLRE-UHFFFAOYSA-N
Molecular Formula C5H5NO2
10

1-(4-Nitrophenyl)pyrrole 98.0+%, TCI America™
SDP

CAS: 4533-42-0 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD00119340 InChI Key: PWCFKNYSCGRNRW-UHFFFAOYSA-N PubChem CID: 272431 IUPAC Name: 1-(4-nitrophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID 272431
CAS 4533-42-0
Molecular Weight (g/mol) 188.186
MDL Number MFCD00119340
SMILES C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
IUPAC Name 1-(4-nitrophenyl)pyrrole
InChI Key PWCFKNYSCGRNRW-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
11

1-Benzylindole-3-carboxylic acid, 95%, Thermo Scientific Chemicals

CAS: 27018-76-4 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.285 MDL Number: MFCD00057094 InChI Key: LVYDDRHDOKXFMW-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl PubChem CID: 33671 IUPAC Name: 1-benzylindole-3-carboxylic acid SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

PubChem CID 33671
CAS 27018-76-4
Molecular Weight (g/mol) 251.285
MDL Number MFCD00057094
SMILES C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O
Synonym 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl
IUPAC Name 1-benzylindole-3-carboxylic acid
InChI Key LVYDDRHDOKXFMW-UHFFFAOYSA-N
Molecular Formula C16H13NO2
12

Indole-3-carboxylic acid, 98%, Thermo Scientific Chemicals

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

PubChem CID 69867
CAS 771-50-6
Molecular Weight (g/mol) 161.16
ChEBI CHEBI:24809
MDL Number MFCD00005624
SMILES C1=CC=C2C(=C1)C(=CN2)C(=O)O
Synonym indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico
IUPAC Name 1H-indole-3-carboxylic acid
InChI Key KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular Formula C9H7NO2
13

2-(1-Pyrrolyl)benzoic acid, 99%, Thermo Scientific Chemicals

CAS: 10333-68-3 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD00051645 InChI Key: GNWTWXOZRSBCOZ-UHFFFAOYSA-N Synonym: 2-1h-pyrrol-1-yl benzoic acid,2-1-pyrrolyl benzoic acid,1-2-carboxyphenyl pyrrole,2-pyrrol-1-yl benzoic acid,2-pyrrol-1-yl-benzoic acid,2-pyrrolylbenzoic acid,maybridge1_002677,1-o-carboxyphenyl pyrrole,n-2-carboxyphenyl pyrrole,1h-pyrrol-1-ylbenzoic acid PubChem CID: 728521 IUPAC Name: 2-pyrrol-1-ylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1N1C=CC=C1

PubChem CID 728521
CAS 10333-68-3
Molecular Weight (g/mol) 187.20
MDL Number MFCD00051645
SMILES OC(=O)C1=CC=CC=C1N1C=CC=C1
Synonym 2-1h-pyrrol-1-yl benzoic acid,2-1-pyrrolyl benzoic acid,1-2-carboxyphenyl pyrrole,2-pyrrol-1-yl benzoic acid,2-pyrrol-1-yl-benzoic acid,2-pyrrolylbenzoic acid,maybridge1_002677,1-o-carboxyphenyl pyrrole,n-2-carboxyphenyl pyrrole,1h-pyrrol-1-ylbenzoic acid
IUPAC Name 2-pyrrol-1-ylbenzoic acid
InChI Key GNWTWXOZRSBCOZ-UHFFFAOYSA-N
Molecular Formula C11H9NO2
14

Thermo Scientific Chemicals Atorvastatin calcium trihydrate

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1

CAS 344423-98-9
Molecular Weight (g/mol) 1209.41
SMILES O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
IUPAC Name calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate
InChI Key SHZPNDRIDUBNMH-NIJVSVLQSA-L
Molecular Formula C66H74CaF2N4O13
15

2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 306936-14-1 Molecular Formula: C12H13NO2S Molecular Weight (g/mol): 235.301 MDL Number: MFCD01567217 InChI Key: MYRBXKXOHIDTFU-UHFFFAOYSA-N Synonym: 2,5-dimethyl-1-2-thienylmethyl pyrrole-3-carboxylic acid,2,5-dimethyl-1-thiophen-2-ylmethyl pyrrole-3-carboxylic acid,2,5-dimethyl-1-2-thienylmethyl-1h-pyrrole-3-carboxylic acid,2,5-dimethyl-1-thien-2-ylmethyl-1h-pyrrole-3-carboxylic acid,2,5-dimethyl-1-thiophen-2-ylmethyl-1h-pyrrole-3-carboxylic acid,2,5-dimethyl-1-thiophen-2-yl methyl-1h-pyrrole-3-carboxylic acid,maybridge1_008501,2,5-dimethyl-1-thiophen-2-ylmethyl-3-pyrrolecarboxylic acid,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-1-2-thienylmethyl,2,5-dimethyl-1-2-thienyl-methyl-1h-pyrrole-3-carboxylic acid PubChem CID: 2736309 IUPAC Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid SMILES: CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O

PubChem CID 2736309
CAS 306936-14-1
Molecular Weight (g/mol) 235.301
MDL Number MFCD01567217
SMILES CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O
Synonym 2,5-dimethyl-1-2-thienylmethyl pyrrole-3-carboxylic acid,2,5-dimethyl-1-thiophen-2-ylmethyl pyrrole-3-carboxylic acid,2,5-dimethyl-1-2-thienylmethyl-1h-pyrrole-3-carboxylic acid,2,5-dimethyl-1-thien-2-ylmethyl-1h-pyrrole-3-carboxylic acid,2,5-dimethyl-1-thiophen-2-ylmethyl-1h-pyrrole-3-carboxylic acid,2,5-dimethyl-1-thiophen-2-yl methyl-1h-pyrrole-3-carboxylic acid,maybridge1_008501,2,5-dimethyl-1-thiophen-2-ylmethyl-3-pyrrolecarboxylic acid,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-1-2-thienylmethyl,2,5-dimethyl-1-2-thienyl-methyl-1h-pyrrole-3-carboxylic acid
IUPAC Name 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid
InChI Key MYRBXKXOHIDTFU-UHFFFAOYSA-N
Molecular Formula C12H13NO2S