Vitas-M small molecule compound
4-({[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK497757
SMILES COc1ccccc1c1nnc(n1C)SCC(=O)c1ccc(cc1)C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H16N4O2S MW 364.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O2S/c1-23-18(15-5-3-4-6-17(15)25-2)21-22-19(23)26-12-16(24)14-9-7-13(11-20)8-10-14/h3-10H,12H2,1-2H3InChIKey
FQHIMZYVJSBIFG-UHFFFAOYSA-NSynonyms
4(((5(2methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2((5(2methoxyphenyl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3OC
InChI=1SC19H16N4O2Sc12318(15534617(15)252)212219(23)261216(24)149713(1120)81014h310H12H212H3
MFCD11855092
ZINC000008882255
ZINC08882255
ZINC8882255
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