Vitas-M small molecule compound
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL375377
SMILES O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nnc(n1c1ccc(c(c1)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 C20H18ClF3N4OS MW 454.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClF3N4OS/c1-11-4-6-15(8-12(11)2)28-13(3)26-27-19(28)30-10-18(29)25-14-5-7-17(21)16(9-14)20(22,23)24/h4-9H,10H2,1-3H3,(H,25,29)InChIKey
QBLFWXYPLAKYAS-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C)C
InChI=1SC20H18ClF3N4OSc1114615(812(11)2)2813(3)262719(28)301018(29)25145717(21)16(914)20(2223)24h49H10H213H3(H2529)
MFCD03861961
N(4CHLORO3(TRIFLUOROMETHYL)PHENYL)2((4(34DIMETHYLPHENYL)5METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4chloro3(trifluoromethyl)phenyl)2((4(34dimethylphenyl)5methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000000663918
ZINC00663918
ZINC663918
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