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Azoles

Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (2,080)
Thiazoles (1,147)
Pyrazoles (903)
Triazoles (508)
Oxazoles (315)
Isoxazoles (233)
Oxadiazoles (152)
Thiadiazoles (69)
Dithiazoles (4)

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1 – 15 of 4,178 results
1

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride, 95%

CAS: 141556-45-8 Molecular Formula: C21H25ClN2 Molecular Weight (g/mol): 340.90 MDL Number: MFCD02684541 InChI Key: OTOSIXGMLYKKOW-UHFFFAOYSA-M Synonym: 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride PubChem CID: 2734211 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride SMILES: [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1

EDGE
PubChem CID 2734211
CAS 141556-45-8
Molecular Weight (g/mol) 340.90
MDL Number MFCD02684541
SMILES [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
Synonym 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride
IUPAC Name 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
InChI Key OTOSIXGMLYKKOW-UHFFFAOYSA-M
Molecular Formula C21H25ClN2
3

3-Amino-4-pyrazolecarbonitrile, 98%

CAS: 16617-46-2 MDL Number: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Synonym: 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole PubChem CID: 85515 IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile SMILES: C1=NNC(=C1C#N)N

EDGE
PubChem CID 85515
CAS 16617-46-2
MDL Number MFCD00005237
SMILES C1=NNC(=C1C#N)N
Synonym 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole
IUPAC Name 5-amino-1H-pyrazole-4-carbonitrile
InChI Key FFNKBQRKZRMYCL-UHFFFAOYSA-N
4

1,2-Dimethyl-5-nitroimidazole, 98%

CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitroimidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O

EDGE
PubChem CID 3090
CAS 551-92-8
Molecular Weight (g/mol) 141.13
MDL Number MFCD00047046
SMILES CN1C(C)=NC=C1[N+]([O-])=O
Synonym dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo
IUPAC Name 1,2-dimethyl-5-nitroimidazole
InChI Key IBXPYPUJPLLOIN-UHFFFAOYSA-N
Molecular Formula C5H7N3O2
5

1H-Imidazole-4-carboxylic acid, 98%

CAS: 1072-84-0 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00082203 InChI Key: NKWCGTOZTHZDHB-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid PubChem CID: 14080 IUPAC Name: 1H-imidazole-5-carboxylic acid SMILES: OC(=O)C1=CN=CN1

EDGE
PubChem CID 14080
CAS 1072-84-0
Molecular Weight (g/mol) 112.09
MDL Number MFCD00082203
SMILES OC(=O)C1=CN=CN1
Synonym 1h-imidazole-4-carboxylic acid,4-imidazolecarboxylic acid,imidazole-4-carboxylic acid,3h-imidazole-4-carboxylic acid,4-carboxyimidazole,unii-ae82z8u4gj,imidazole-5-carboxylic acid,4-imidazole carboxylic acid,ae82z8u4gj,4 5-imidazolecarboxylic acid
IUPAC Name 1H-imidazole-5-carboxylic acid
InChI Key NKWCGTOZTHZDHB-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
6

5-Aminoimidazole-4-carboxamide, 95%

CAS: 360-97-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD02181040 InChI Key: DVNYTAVYBRSTGK-UHFFFAOYSA-N Synonym: 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole PubChem CID: 9679 ChEBI: CHEBI:2030 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide SMILES: NC(=O)C1=C(N)N=CN1

EDGE
PubChem CID 9679
CAS 360-97-4
Molecular Weight (g/mol) 126.12
ChEBI CHEBI:2030
MDL Number MFCD02181040
SMILES NC(=O)C1=C(N)N=CN1
Synonym 5-aminoimidazole-4-carboxamide,5-amino-1h-imidazole-4-carboxamide,4-amino-5-imidazolecarboxamide,5-amino-4-imidazolecarboxamide,colahepat,4-aminoimidazole-5-carboxamide,aica,1h-imidazole-4-carboxamide, 5-amino,diazol-c,4-carbamoyl-5-aminoimidazole
IUPAC Name 4-amino-1H-imidazole-5-carboxamide
InChI Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Molecular Formula C4H6N4O
7

3-Amino-5-hydroxypyrazole, 98%

CAS: 6126-22-3 MDL Number: MFCD00022384 InChI Key: QZBGOTVBHYKUDS-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino PubChem CID: 96221 IUPAC Name: 5-amino-1,2-dihydropyrazol-3-one SMILES: C1=C(NNC1=O)N

EDGE
PubChem CID 96221
CAS 6126-22-3
MDL Number MFCD00022384
SMILES C1=C(NNC1=O)N
Synonym 3-amino-5-hydroxypyrazole,3-amino-1h-pyrazol-5-ol,5-amino-1h-pyrazol-3-ol,5-amino-1h-pyrazol-3 2h-one,3-amino-1,2-dihydropyrazol-5-one,5-aminopyrazol-3-ol,5-amino-2h-pyrazol-3-ol,3-pyrazolin-5-one, 3-amino,5-amino-2,3-dihydro-1h-pyrazol-3-one,1h-pyrazol-5-ol, 3-amino
IUPAC Name 5-amino-1,2-dihydropyrazol-3-one
InChI Key QZBGOTVBHYKUDS-UHFFFAOYSA-N
8

1,2,3-1H-Triazole, 97%

CAS: 288-36-8 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.07 InChI Key: QWENRTYMTSOGBR-UHFFFAOYSA-N Synonym: 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole PubChem CID: 67516 ChEBI: CHEBI:35565 IUPAC Name: 2H-triazole SMILES: C1=NNN=C1

EDGE
PubChem CID 67516
CAS 288-36-8
Molecular Weight (g/mol) 69.07
ChEBI CHEBI:35565
SMILES C1=NNN=C1
Synonym 1h-1,2,3-triazole,1,2,3-triazole,2h-1,2,3-triazole,1,2,3-1h-triazole,triazole,triazol,osotriazole,v-triazole,1,2,3-triazol,1,2,3 triazole
IUPAC Name 2H-triazole
InChI Key QWENRTYMTSOGBR-UHFFFAOYSA-N
Molecular Formula C2H3N3
9

1-Methyl-1H-indazole-4-carboxaldehyde, 95%

CAS: 1053655-56-3 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD10699167 InChI Key: SONWSIAHVBTXPB-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde PubChem CID: 37818471 IUPAC Name: 1-methylindazole-4-carbaldehyde SMILES: CN1C2=CC=CC(=C2C=N1)C=O

EDGE
PubChem CID 37818471
CAS 1053655-56-3
Molecular Weight (g/mol) 160.18
MDL Number MFCD10699167
SMILES CN1C2=CC=CC(=C2C=N1)C=O
Synonym 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde
IUPAC Name 1-methylindazole-4-carbaldehyde
InChI Key SONWSIAHVBTXPB-UHFFFAOYSA-N
Molecular Formula C9H8N2O
10

2-Bromothiazole-4-carboxaldehyde, 97%

CAS: 5198-80-1 Molecular Formula: C4H2BrNOS Molecular Weight (g/mol): 192.03 MDL Number: MFCD04115726 InChI Key: JDUXMFGFGCJNGO-UHFFFAOYSA-N Synonym: 2-bromothiazole-4-carbaldehyde,2-bromo-4-formylthiazole,2-bromo-4-fomylthiazole,2-bromothiazole-4-carboxaldehyde,4-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-4-carboxaldehyde,2-bromo-4-formyl-1,3-thiazole,pubchem8915,acmc-209kx4,2-bromo-4-thiazole carboxaldehyde PubChem CID: 17750433 IUPAC Name: 2-bromo-1,3-thiazole-4-carbaldehyde SMILES: BrC1=CSC(C=O)=N1

EDGE
PubChem CID 17750433
CAS 5198-80-1
Molecular Weight (g/mol) 192.03
MDL Number MFCD04115726
SMILES BrC1=CSC(C=O)=N1
Synonym 2-bromothiazole-4-carbaldehyde,2-bromo-4-formylthiazole,2-bromo-4-fomylthiazole,2-bromothiazole-4-carboxaldehyde,4-thiazolecarboxaldehyde, 2-bromo,2-bromo-1,3-thiazole-4-carboxaldehyde,2-bromo-4-formyl-1,3-thiazole,pubchem8915,acmc-209kx4,2-bromo-4-thiazole carboxaldehyde
IUPAC Name 2-bromo-1,3-thiazole-4-carbaldehyde
InChI Key JDUXMFGFGCJNGO-UHFFFAOYSA-N
Molecular Formula C4H2BrNOS
11

1H-Indazole-6-carboxaldehyde, 97%

CAS: 669050-69-5 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 InChI Key: JTWYTTXTJFDYAG-UHFFFAOYSA-N Synonym: 1h-indazole-6-carboxaldehyde,6-formylindazole,6-formyl-1h-indazole,2h-indazole-6-carbaldehyde,indazole-6-carboxaldehyde,1h-indazole-6-cabaldehyde,pubchem23878,acmc-1bc45,2h-indazole-6-carboxaldehyde,1-h-indazole-6-carboxaldehyde PubChem CID: 18538368 IUPAC Name: 1H-indazole-6-carbaldehyde SMILES: C1=CC2=C(C=C1C=O)NN=C2

EDGE
PubChem CID 18538368
CAS 669050-69-5
Molecular Weight (g/mol) 146.15
SMILES C1=CC2=C(C=C1C=O)NN=C2
Synonym 1h-indazole-6-carboxaldehyde,6-formylindazole,6-formyl-1h-indazole,2h-indazole-6-carbaldehyde,indazole-6-carboxaldehyde,1h-indazole-6-cabaldehyde,pubchem23878,acmc-1bc45,2h-indazole-6-carboxaldehyde,1-h-indazole-6-carboxaldehyde
IUPAC Name 1H-indazole-6-carbaldehyde
InChI Key JTWYTTXTJFDYAG-UHFFFAOYSA-N
Molecular Formula C8H6N2O
12

6-Iodo-1H-indazole, 97%, Thermo Scientific™

CAS: 261953-36-0 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.03 MDL Number: MFCD04114695 InChI Key: RSGAXJZKQDNFEP-UHFFFAOYSA-N Synonym: 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo PubChem CID: 12991241 IUPAC Name: 6-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)NN=C2

EDGE
PubChem CID 12991241
CAS 261953-36-0
Molecular Weight (g/mol) 244.03
MDL Number MFCD04114695
SMILES C1=CC2=C(C=C1I)NN=C2
Synonym 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo
IUPAC Name 6-iodo-1H-indazole
InChI Key RSGAXJZKQDNFEP-UHFFFAOYSA-N
Molecular Formula C7H5IN2
13

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%

CAS: 4568-71-2 Molecular Formula: C13H16ClNOS Molecular Weight (g/mol): 269.79 MDL Number: MFCD00011959 InChI Key: IWSVLBKHBJGMAA-UHFFFAOYSA-M Synonym: 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride PubChem CID: 2833352 SMILES: [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1

EDGE
PubChem CID 2833352
CAS 4568-71-2
Molecular Weight (g/mol) 269.79
MDL Number MFCD00011959
SMILES [Cl-].CC1=C(CCO)SC=[N+]1CC1=CC=CC=C1
Synonym 3-benzyl-5-2-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5-2-hydroxyethyl-4-methylthiazol-3-ium chloride,3-benzyl-5-2-hydroxyethyl-4-methyl-1,3-thiazol-3-ium chloride,thiazolium, 5-2-hydroxyethyl-4-methyl-3-phenylmethyl-, chloride,2-4-methyl-3-benzyl-1,3-thiazol-5-yl ethan-1-ol, chloride,acmc-1aqyn,3-benzyl-5-2-hydroxyethyl thazolium chloride,3-benzyl-4-methyl-5-hydroxyethylthiazolium chloride,3-benzyl-5-hydroxyethyl-4-methylthiazolium chloride,3-benzyl-5 2-hydroxyethyl-4-methylthiazolium chloride
InChI Key IWSVLBKHBJGMAA-UHFFFAOYSA-M
Molecular Formula C13H16ClNOS
14

4-Thiazolecarboxylic acid, 97%

CAS: 3973-08-8 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.14 ChEBI: CHEBI:46230

EDGE
CAS 3973-08-8
Molecular Weight (g/mol) 129.14
ChEBI CHEBI:46230
Molecular Formula C4H3NO2S
15

ODQ, 98%

CAS: 41443-28-1 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.2 MDL Number: MFCD00792620 InChI Key: LZMHWZHOZLVYDL-UHFFFAOYSA-N Synonym: 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq PubChem CID: 1456 IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

EDGE
PubChem CID 1456
CAS 41443-28-1
Molecular Weight (g/mol) 187.2
MDL Number MFCD00792620
SMILES C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
Synonym 1h-1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,odq,1,2,4 oxadiazolo 4,3-a quinoxalin-1-one,unii-s57v2nmv38,1h-1,2,4 oxadiazolo 4,3-a-quinoxalin-1-one,1h-1,2,4 oxadiazolo-4,3,a quinoxalin-1-one,1-h-1,2,4 oxadiazolo-4,3,2 quinoxalin-1-ine,1h-odq
IUPAC Name [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
InChI Key LZMHWZHOZLVYDL-UHFFFAOYSA-N
Molecular Formula C9H5N3O2