Vitas-M small molecule compound
4-({[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK245814
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)c1ccccc1C
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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 C19H16N4OS MW 348.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4OS/c1-13-5-3-4-6-16(13)18-21-22-19(23(18)2)25-12-17(24)15-9-7-14(11-20)8-10-15/h3-10H,12H2,1-2H3InChIKey
BUTHLIFLYTXSRY-UHFFFAOYSA-NSynonyms
4(((4METHYL5(2METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((4methyl5(2methylphenyl)124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4METHYL5OTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC19H16N4OSc113534616(13)18212219(23(18)2)251217(24)159714(1120)81015h310H12H212H3
MFCD08670558
ZINC000009328152
ZINC09328152
ZINC9328152
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