Vitas-M small molecule compound
2-[5-({2-[(4-cyanophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide
Catalog ID
STK278701
SMILES N#Cc1ccc(cc1)NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccc(c(c1)C)C
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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 C22H22N6O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S/c1-14-4-7-18(10-15(14)2)25-20(29)11-19-26-27-22(28(19)3)31-13-21(30)24-17-8-5-16(12-23)6-9-17/h4-10H,11,13H2,1-3H3,(H,24,30)(H,25,29)InChIKey
NMYJSSROSFOREI-UHFFFAOYSA-NSynonyms
2(5((2((4CYANOPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(34DIMETHYLPHENYL)ACETAMIDE
2(5((4CYANOPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(34DIMETHYLPHENYL)ACETAMIDE
2(5(2(4cyanoanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)N(34dimethylphenyl)acetamide
CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C#N)C
InChI=1SC22H22N6O2Sc1144718(1015(14)2)2520(29)1119262722(28(19)3)311321(30)24178516(1223)6917h410H1113H213H3(H2430)(H2529)
MFCD09269479
ZINC000009095841
ZINC09095841
ZINC9095841
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