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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 (832)
Thiazoles (712)
Pyrazoles (388)
Oxazoles (182)
Triazoles (162)
Isoxazoles (100)
Oxadiazoles (86)
Thiadiazoles (32)
Dithiazoles (2)

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1 – 15 of 1,853 results
1
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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
2
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1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
3
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Thermo Scientific Chemicals Myclobutanil

CAS: 88671-89-0 Molecular Formula: C15H17ClN4 Molecular Weight (g/mol): 288.78 InChI Key: HZJKXKUJVSEEFU-UHFFFAOYNA-N IUPAC Name: 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile SMILES: CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1

CAS 88671-89-0
Molecular Weight (g/mol) 288.78
SMILES CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
IUPAC Name 2-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]hexanenitrile
InChI Key HZJKXKUJVSEEFU-UHFFFAOYNA-N
Molecular Formula C15H17ClN4
4
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Xanthane hydride, Thermo Scientific Chemicals

CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1

CAS 6846-35-1
Molecular Weight (g/mol) 150.23
SMILES NC1=NC(=S)SS1
IUPAC Name 5-amino-3H-1,2,4-dithiazole-3-thione
InChI Key YWZHEXZIISFIDA-UHFFFAOYSA-N
Molecular Formula C2H2N2S3
5

Thermo Scientific Chemicals 1-Methylimidazole, for biochemistry, anhydrous, AcroSeal™

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1

CAS 616-47-7
Molecular Weight (g/mol) 82.11
MDL Number MFCD00005292
SMILES CN1C=CN=C1
IUPAC Name 1-methyl-1H-imidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
6

Nalidixic acid sodium salt

CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate SMILES: [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12

CAS 5-8-3374
Molecular Weight (g/mol) 254.22
SMILES [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12
IUPAC Name sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
InChI Key ROKRAUFZFDQWLE-UHFFFAOYSA-M
Molecular Formula C12H11N2NaO3
7
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Thermo Scientific Chemicals Tinidazole

CAS: 19387-91-8 Molecular Formula: C8H13N3O4S Molecular Weight (g/mol): 247.27 MDL Number: MFCD00057217 InChI Key: HJLSLZFTEKNLFI-UHFFFAOYSA-N IUPAC Name: 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole SMILES: CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O

CAS 19387-91-8
Molecular Weight (g/mol) 247.27
MDL Number MFCD00057217
SMILES CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
IUPAC Name 1-[2-(ethanesulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Molecular Formula C8H13N3O4S
8
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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
9

2,4-Diphenyl-1,3-thiazole-5-carbaldehyde, ≥95%, Thermo Scientific™

CAS: 864068-85-9 Molecular Formula: C16H11NOS Molecular Weight (g/mol): 265.33 MDL Number: MFCD08060521 InChI Key: QCAWTHNKWALNJR-UHFFFAOYSA-N Synonym: 2,4-diphenylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,2,4-diphenyl PubChem CID: 7537553 IUPAC Name: 2,4-diphenyl-1,3-thiazole-5-carbaldehyde SMILES: O=CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 7537553
CAS 864068-85-9
Molecular Weight (g/mol) 265.33
MDL Number MFCD08060521
SMILES O=CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2,4-diphenylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,2,4-diphenyl
IUPAC Name 2,4-diphenyl-1,3-thiazole-5-carbaldehyde
InChI Key QCAWTHNKWALNJR-UHFFFAOYSA-N
Molecular Formula C16H11NOS
10
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Thermo Scientific Chemicals Metronidazole, 99%

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.16
ChEBI CHEBI:6909
MDL Number MFCD00009750
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
11

5-(2-Bromophenyl)-1,3-oxazole, ≥97%, Thermo Scientific™

CAS: 328270-70-8 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD05668985 InChI Key: JLTHLCLAPCIKJJ-UHFFFAOYSA-N Synonym: 5-2-bromophenyl oxazole,5-2-bromophenyl-1,3-oxazole,oxazole,5-2-bromophenyl PubChem CID: 3780551 IUPAC Name: 5-(2-bromophenyl)-1,3-oxazole SMILES: C1=CC=C(C(=C1)C2=CN=CO2)Br

PubChem CID 3780551
CAS 328270-70-8
Molecular Weight (g/mol) 224.057
MDL Number MFCD05668985
SMILES C1=CC=C(C(=C1)C2=CN=CO2)Br
Synonym 5-2-bromophenyl oxazole,5-2-bromophenyl-1,3-oxazole,oxazole,5-2-bromophenyl
IUPAC Name 5-(2-bromophenyl)-1,3-oxazole
InChI Key JLTHLCLAPCIKJJ-UHFFFAOYSA-N
Molecular Formula C9H6BrNO
12
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2,5-Dibromothiazole, 97%

CAS: 4175-78-4 MDL Number: MFCD00016891 InChI Key: XIBIQFJKUZZLLX-UHFFFAOYSA-N Synonym: 2,5-dibromothiazole,thiazole, 2,5-dibromo,2,5-dibormothiazole,thiazole,5-dibromo,2,5-dibromo-thiazole,pubchem20949,acmc-209jlm,ksc237s3r,# PubChem CID: 312394 IUPAC Name: 2,5-dibromo-1,3-thiazole SMILES: C1=C(SC(=N1)Br)Br

PubChem CID 312394
CAS 4175-78-4
MDL Number MFCD00016891
SMILES C1=C(SC(=N1)Br)Br
Synonym 2,5-dibromothiazole,thiazole, 2,5-dibromo,2,5-dibormothiazole,thiazole,5-dibromo,2,5-dibromo-thiazole,pubchem20949,acmc-209jlm,ksc237s3r,#
IUPAC Name 2,5-dibromo-1,3-thiazole
InChI Key XIBIQFJKUZZLLX-UHFFFAOYSA-N
13

4-(1H-Pyrazol-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 179057-34-2 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD07687291 InChI Key: FPZADNOIMZEBTC-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl benzonitrile,4-pyrazol-1-ylmethyl benzonitrile,benzonitrile,4-1h-pyrazol-1-ylmethyl,4-1h-pyrazol-1-yl methyl benzonitrile,4-pyrazolylmethyl benzenecarbonitrile,4-1h-pyrazole-1-ylmethyl benzonitrile PubChem CID: 8834695 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzonitrile SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C#N

PubChem CID 8834695
CAS 179057-34-2
Molecular Weight (g/mol) 183.214
MDL Number MFCD07687291
SMILES C1=CN(N=C1)CC2=CC=C(C=C2)C#N
Synonym 4-1h-pyrazol-1-ylmethyl benzonitrile,4-pyrazol-1-ylmethyl benzonitrile,benzonitrile,4-1h-pyrazol-1-ylmethyl,4-1h-pyrazol-1-yl methyl benzonitrile,4-pyrazolylmethyl benzenecarbonitrile,4-1h-pyrazole-1-ylmethyl benzonitrile
IUPAC Name 4-(pyrazol-1-ylmethyl)benzonitrile
InChI Key FPZADNOIMZEBTC-UHFFFAOYSA-N
Molecular Formula C11H9N3
14

5-Methyl-2-phenyl-1,3-oxazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 70170-23-9 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.20 MDL Number: MFCD08435848 InChI Key: JEXONSMPSXTJFF-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyloxazole-4-carbaldehyde,4-oxazolecarboxaldehyde,5-methyl-2-phenyl,4-oxazolecarboxaldehyde, 5-methyl-2-phenyl PubChem CID: 12471041 IUPAC Name: 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde SMILES: CC1=C(C=O)N=C(O1)C1=CC=CC=C1

PubChem CID 12471041
CAS 70170-23-9
Molecular Weight (g/mol) 187.20
MDL Number MFCD08435848
SMILES CC1=C(C=O)N=C(O1)C1=CC=CC=C1
Synonym 5-methyl-2-phenyloxazole-4-carbaldehyde,4-oxazolecarboxaldehyde,5-methyl-2-phenyl,4-oxazolecarboxaldehyde, 5-methyl-2-phenyl
IUPAC Name 5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde
InChI Key JEXONSMPSXTJFF-UHFFFAOYSA-N
Molecular Formula C11H9NO2
15

5-(4-Ethynylphenyl)-1,3-oxazole, 97%, Thermo Scientific™

CAS: 501944-63-4 Molecular Formula: C11H7NO Molecular Weight (g/mol): 169.183 MDL Number: MFCD08435847 InChI Key: CYRYZDZQFDRTHD-UHFFFAOYSA-N Synonym: 5-4-ethynylphenyl-1,3-oxazole,5-4-ethynylphenyl oxazole,oxazole,5-4-ethynylphenyl,4-1,3-oxazol-5-yl phenylacetylene PubChem CID: 18525707 IUPAC Name: 5-(4-ethynylphenyl)-1,3-oxazole SMILES: C#CC1=CC=C(C=C1)C2=CN=CO2

PubChem CID 18525707
CAS 501944-63-4
Molecular Weight (g/mol) 169.183
MDL Number MFCD08435847
SMILES C#CC1=CC=C(C=C1)C2=CN=CO2
Synonym 5-4-ethynylphenyl-1,3-oxazole,5-4-ethynylphenyl oxazole,oxazole,5-4-ethynylphenyl,4-1,3-oxazol-5-yl phenylacetylene
IUPAC Name 5-(4-ethynylphenyl)-1,3-oxazole
InChI Key CYRYZDZQFDRTHD-UHFFFAOYSA-N
Molecular Formula C11H7NO