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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 (2,523)
Thiazoles (1,535)
Pyrazoles (1,310)
Triazoles (575)
Oxazoles (429)
Isoxazoles (235)
Oxadiazoles (212)
Thiadiazoles (70)
Dithiazoles (4)

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1 – 15 of 5,631 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

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

2-Amino-4-phenylthiazole, 97%

CAS: 2010-06-2 Molecular Formula: C9H8N2S Molecular Weight (g/mol): 176.24 MDL Number: MFCD00039680 InChI Key: PYSJLPAOBIGQPK-UHFFFAOYSA-N

CAS 2010-06-2
Molecular Weight (g/mol) 176.24
MDL Number MFCD00039680
InChI Key PYSJLPAOBIGQPK-UHFFFAOYSA-N
Molecular Formula C9H8N2S
3

Urocanic acid, 98%

CAS: 104-98-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O

EDGE
PubChem CID 1549103
CAS 104-98-3
Molecular Weight (g/mol) 138.13
ChEBI CHEBI:30818
MDL Number MFCD00005203
SMILES C1=C(NC=N1)C=CC(=O)O
Synonym urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid
IUPAC Name (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI Key LOIYMIARKYCTBW-UPHRSURJSA-N
Molecular Formula C6H6N2O2
4

1,2-Dimethylimidazole, 96+%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

EDGE
PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
5

Carbimazole, 98%, Thermo Scientific™

CAS: 22232-54-8 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 InChI Key: CFOYWRHIYXMDOT-UHFFFAOYSA-N Synonym: carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat PubChem CID: 31072 ChEBI: CHEBI:617099 IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate SMILES: CCOC(=O)N1C=CN(C1=S)C

PubChem CID 31072
CAS 22232-54-8
Molecular Weight (g/mol) 186.23
ChEBI CHEBI:617099
SMILES CCOC(=O)N1C=CN(C1=S)C
Synonym carbimazole,athyromazole,carbimazol,carbethoxymethimazole,neomercazole,carbinazole,neo-thyreostat,basolest,carbimazolum,thyrostat
IUPAC Name ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate
InChI Key CFOYWRHIYXMDOT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
6

Sulfamethoxazole 98.0+%, TCI America™
SDP

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5329
CAS 723-46-6
Molecular Weight (g/mol) 253.276
ChEBI CHEBI:9332
MDL Number MFCD00010546
SMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin
IUPAC Name 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
7

1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate 98.0+%, TCI America™
SDP

CAS: 145022-44-2 Molecular Formula: C7H11F3N2O3S Molecular Weight (g/mol): 260.231 MDL Number: MFCD00210008 InChI Key: ZPTRYWVRCNOTAS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium trifluoromethanesulfonate,1-ethyl-3-methylimidazolium triflate,1-ethyl-3-methyl-1h-imidazol-3-ium trifluoromethanesulfonate,acmc-209ctv,dsstox_cid_27941,dsstox_rid_82693,dsstox_gsid_47965,1-ethyl-3-methylimidazoliumtrifluoromethanesulfonate,ksc685i3d,1-ethyl-3-methylimidazolium trifluoromethanesulfon PubChem CID: 2758874 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

PubChem CID 2758874
CAS 145022-44-2
Molecular Weight (g/mol) 260.231
MDL Number MFCD00210008
SMILES CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium trifluoromethanesulfonate,1-ethyl-3-methylimidazolium triflate,1-ethyl-3-methyl-1h-imidazol-3-ium trifluoromethanesulfonate,acmc-209ctv,dsstox_cid_27941,dsstox_rid_82693,dsstox_gsid_47965,1-ethyl-3-methylimidazoliumtrifluoromethanesulfonate,ksc685i3d,1-ethyl-3-methylimidazolium trifluoromethanesulfon
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI Key ZPTRYWVRCNOTAS-UHFFFAOYSA-M
Molecular Formula C7H11F3N2O3S
8

4-(2-Methyl-1,3-thiazol-4-yl)benzoyl chloride, Tech., Thermo Scientific™

CAS: 857283-93-3 Molecular Formula: C11H8ClNOS Molecular Weight (g/mol): 237.701 MDL Number: MFCD08271902 InChI Key: WJQGMUPBMHWAEX-UHFFFAOYSA-N Synonym: 4-2-methyl-1,3-thiazol-4-yl benzoyl chloride,benzoyl chloride,4-2-methyl-4-thiazolyl,4-2-methylthiazol-4-yl benzoyl chloride PubChem CID: 7537526 IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)Cl

PubChem CID 7537526
CAS 857283-93-3
Molecular Weight (g/mol) 237.701
MDL Number MFCD08271902
SMILES CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)Cl
Synonym 4-2-methyl-1,3-thiazol-4-yl benzoyl chloride,benzoyl chloride,4-2-methyl-4-thiazolyl,4-2-methylthiazol-4-yl benzoyl chloride
IUPAC Name 4-(2-methyl-1,3-thiazol-4-yl)benzoyl chloride
InChI Key WJQGMUPBMHWAEX-UHFFFAOYSA-N
Molecular Formula C11H8ClNOS
9

(5-Phenyl-1,3-oxazol-4-yl)methanol, ≥95%, Thermo Scientific™

CAS: 352018-88-3 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD03086105 InChI Key: LVHWTAMRDRDXJP-UHFFFAOYSA-N Synonym: 5-phenyloxazol-4-yl methanol,5-phenyl-1,3-oxazol-4-yl methanol,5-phenyl-1,3-oxazole-4-methanol,4-oxazolemethanol,5-phenyl,5-phenyl-4-oxazolyl methanol,5-phenyl-oxazol-4-yl-methanol,5-phenyl-1,3-oxazol-4-yl methan-1-ol PubChem CID: 2776302 IUPAC Name: (5-phenyl-1,3-oxazol-4-yl)methanol SMILES: C1=CC=C(C=C1)C2=C(N=CO2)CO

PubChem CID 2776302
CAS 352018-88-3
Molecular Weight (g/mol) 175.187
MDL Number MFCD03086105
SMILES C1=CC=C(C=C1)C2=C(N=CO2)CO
Synonym 5-phenyloxazol-4-yl methanol,5-phenyl-1,3-oxazol-4-yl methanol,5-phenyl-1,3-oxazole-4-methanol,4-oxazolemethanol,5-phenyl,5-phenyl-4-oxazolyl methanol,5-phenyl-oxazol-4-yl-methanol,5-phenyl-1,3-oxazol-4-yl methan-1-ol
IUPAC Name (5-phenyl-1,3-oxazol-4-yl)methanol
InChI Key LVHWTAMRDRDXJP-UHFFFAOYSA-N
Molecular Formula C10H9NO2
10

[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]methanol 97+%, Thermo Scientific™

CAS: 886851-33-8 Molecular Formula: C9H10N2O2 Molecular Weight (g/mol): 178.191 InChI Key: BYXYWFXMSJTOKB-UHFFFAOYSA-N Synonym: 3-2-furyl-1-methyl-1h-pyrazol-5-yl methanol,5-furan-2-yl-2-methylpyrazol-3-yl methanol,3-2-furyl-1-methylpyrazol-5-yl methan-1-ol,3-furan-2-yl-1-methyl-1h-pyrazol-5-yl methanol PubChem CID: 18525804 IUPAC Name: [5-(furan-2-yl)-2-methylpyrazol-3-yl]methanol SMILES: CN1C(=CC(=N1)C2=CC=CO2)CO

PubChem CID 18525804
CAS 886851-33-8
Molecular Weight (g/mol) 178.191
SMILES CN1C(=CC(=N1)C2=CC=CO2)CO
Synonym 3-2-furyl-1-methyl-1h-pyrazol-5-yl methanol,5-furan-2-yl-2-methylpyrazol-3-yl methanol,3-2-furyl-1-methylpyrazol-5-yl methan-1-ol,3-furan-2-yl-1-methyl-1h-pyrazol-5-yl methanol
IUPAC Name [5-(furan-2-yl)-2-methylpyrazol-3-yl]methanol
InChI Key BYXYWFXMSJTOKB-UHFFFAOYSA-N
Molecular Formula C9H10N2O2
11

1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 109925-42-0 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD01936001 InChI Key: JDLPKSIFGPLXAU-UHFFFAOYSA-N Synonym: 1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl,acmc-20a3tk,methylphenoxytrifluoromethylpyrazolecarbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxyaldehyde PubChem CID: 2775493 IUPAC Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carbaldehyde SMILES: CN1C(=C(C(=N1)C(F)(F)F)C=O)OC2=CC=CC=C2

PubChem CID 2775493
CAS 109925-42-0
Molecular Weight (g/mol) 270.211
MDL Number MFCD01936001
SMILES CN1C(=C(C(=N1)C(F)(F)F)C=O)OC2=CC=CC=C2
Synonym 1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl pyrazole-4-carbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl,acmc-20a3tk,methylphenoxytrifluoromethylpyrazolecarbaldehyde,1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole-4-carboxyaldehyde
IUPAC Name 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI Key JDLPKSIFGPLXAU-UHFFFAOYSA-N
Molecular Formula C12H9F3N2O2
12

1,3-Thiazole-2-carboxylic acid, 95%, Thermo Scientific™

CAS: 14190-59-1 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.133 MDL Number: MFCD02094169 InChI Key: IJVLVRYLIMQVDD-UHFFFAOYSA-N Synonym: thiazole-2-carboxylic acid,2-thiazolecarboxylic acid,thiazole-2-carboxylicacid,2-carboxy-1,3-thiazole,thiazolecarboxylic acid,pubchem16257,thiazole carboxylic acid,2-carboxythiazole,acmc-209cn5 PubChem CID: 2762733 IUPAC Name: 1,3-thiazole-2-carboxylic acid SMILES: C1=CSC(=N1)C(=O)O

PubChem CID 2762733
CAS 14190-59-1
Molecular Weight (g/mol) 129.133
MDL Number MFCD02094169
SMILES C1=CSC(=N1)C(=O)O
Synonym thiazole-2-carboxylic acid,2-thiazolecarboxylic acid,thiazole-2-carboxylicacid,2-carboxy-1,3-thiazole,thiazolecarboxylic acid,pubchem16257,thiazole carboxylic acid,2-carboxythiazole,acmc-209cn5
IUPAC Name 1,3-thiazole-2-carboxylic acid
InChI Key IJVLVRYLIMQVDD-UHFFFAOYSA-N
Molecular Formula C4H3NO2S
13

(3-Methylisoxazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO

PubChem CID 10820493
CAS 14716-89-3
Molecular Weight (g/mol) 113.116
MDL Number MFCD09859210
SMILES CC1=NOC(=C1)CO
Synonym 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole
IUPAC Name (3-methyl-1,2-oxazol-5-yl)methanol
InChI Key OFSDWHRZVRCPBR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
14

6-Amino-3-chloro-1H-indazole, 97%

CAS: 21413-23-0 Molecular Formula: C7H6ClN3 Molecular Weight (g/mol): 167.60 MDL Number: MFCD07781648 InChI Key: DRRARKIFTNKQDW-UHFFFAOYSA-N Synonym: 3-chloro-1h-indazol-6-amine,6-amino-3-chloro-1h-indazole,1h-indazol-6-amine,3-chloro,6-amino-3-chloroindazole,3-chloro-1h-indazole-6-ylamine,3-chloro-1h-indazol-6-ylamine,6-amino-3-chloro 1h indazole,pubchem23042,3-chloro-indazol-6-amine PubChem CID: 14790453 IUPAC Name: 3-chloro-2H-indazol-6-amine SMILES: NC1=CC2=NNC(Cl)=C2C=C1

PubChem CID 14790453
CAS 21413-23-0
Molecular Weight (g/mol) 167.60
MDL Number MFCD07781648
SMILES NC1=CC2=NNC(Cl)=C2C=C1
Synonym 3-chloro-1h-indazol-6-amine,6-amino-3-chloro-1h-indazole,1h-indazol-6-amine,3-chloro,6-amino-3-chloroindazole,3-chloro-1h-indazole-6-ylamine,3-chloro-1h-indazol-6-ylamine,6-amino-3-chloro 1h indazole,pubchem23042,3-chloro-indazol-6-amine
IUPAC Name 3-chloro-2H-indazol-6-amine
InChI Key DRRARKIFTNKQDW-UHFFFAOYSA-N
Molecular Formula C7H6ClN3
15

4-(2-Methyl-1H-imidazol-1-yl)benzylamine, 90%, Thermo Scientific™

CAS: 883291-45-0 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD06617944 InChI Key: JOMOQABDRBJMDQ-UHFFFAOYSA-N Synonym: 4-2-methyl-1h-imidazol-1-yl benzylamine,1-4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazol-1-yl phenyl methanamine,benzenemethanamine,4-2-methyl-1h-imidazol-1-yl,4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazolyl phenyl methylamine,1-4-2-methylimidazol-1-yl phenyl methanamine PubChem CID: 4913134 IUPAC Name: [4-(2-methylimidazol-1-yl)phenyl]methanamine SMILES: CC1=NC=CN1C2=CC=C(C=C2)CN

PubChem CID 4913134
CAS 883291-45-0
Molecular Weight (g/mol) 187.246
MDL Number MFCD06617944
SMILES CC1=NC=CN1C2=CC=C(C=C2)CN
Synonym 4-2-methyl-1h-imidazol-1-yl benzylamine,1-4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazol-1-yl phenyl methanamine,benzenemethanamine,4-2-methyl-1h-imidazol-1-yl,4-2-methyl-1h-imidazol-1-yl phenyl methanamine,4-2-methylimidazolyl phenyl methylamine,1-4-2-methylimidazol-1-yl phenyl methanamine
IUPAC Name [4-(2-methylimidazol-1-yl)phenyl]methanamine
InChI Key JOMOQABDRBJMDQ-UHFFFAOYSA-N
Molecular Formula C11H13N3