Vitas-M small molecule compound
2-{[4-amino-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL341982
SMILES O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nnc(n1N)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 C21H21ClF3N5OS MW 483.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClF3N5OS/c1-20(2,3)13-6-4-12(5-7-13)18-28-29-19(30(18)26)32-11-17(31)27-14-8-9-16(22)15(10-14)21(23,24)25/h4-10H,11,26H2,1-3H3,(H,27,31)InChIKey
IMCPPEFUQBPUGY-UHFFFAOYSA-NSynonyms
578733-79-62((4amino5(4(tertbutyl)phenyl)4H124triazol3yl)thio)N(4chloro3(trifluoromethyl)phenyl)acetamide
2((4AMINO5(4TERTBUTYLPHENYL)124TRIAZOL3YL)SULFANYL)N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2((4amino5(4tertbutylphenyl)4H124triazol3yl)sulfanyl)N(4chloro3(trifluoromethyl)phenyl)acetamide
2(4AMINO5(4(TERTBUTYL)PHENYL)(124TRIAZOL3YLTHIO))N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
578733796
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI=1SC21H21ClF3N5OSc120(23)136412(5713)18282919(30(18)26)321117(31)27148916(22)15(1014)21(2324)25h410H1126H213H3(H2731)
MFCD04031572
ZINC000002394496
ZINC02394496
ZINC2394496
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