Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide
Catalog ID
STL299211
SMILES O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(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 C29H31ClN4OS MW 519.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31ClN4OS/c1-18-7-13-23(14-8-18)34-27(21-9-11-22(12-10-21)29(4,5)6)32-33-28(34)36-17-25(35)31-26-20(3)15-19(2)16-24(26)30/h7-16H,17H2,1-6H3,(H,31,35)InChIKey
PRSADPMOMXCYPF-UHFFFAOYSA-NSynonyms
862118-01-22((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(2chloro46dimethylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(2CHLORO46DIMETHYLPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N(2chloro46dimethylphenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))N(2CHLORO46DIMETHYLPHENYL)ACETAMIDE
862118012
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Cl)C)C)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H31ClN4OSc11871323(14818)3427(2191122(121021)29(45)6)323328(34)361725(35)312620(3)1519(2)1624(26)30h716H17H216H3(H3135)
MFCD05687265
ZINC000009309429
ZINC09309429
ZINC9309429
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