Vitas-M small molecule compound
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Catalog ID
STK807655
SMILES COc1cc(ccc1OC)c1nnc(n1c1cccc(c1)C(F)(F)F)SCC(=O)c1cc(c(c(c1)C(C)(C)C)O)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 C33H36F3N3O4S MW 627.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36F3N3O4S/c1-31(2,3)23-14-20(15-24(28(23)41)32(4,5)6)25(40)18-44-30-38-37-29(19-12-13-26(42-7)27(16-19)43-8)39(30)22-11-9-10-21(17-22)33(34,35)36/h9-17,41H,18H2,1-8H3InChIKey
MKCZSWRNMCSHDW-UHFFFAOYSA-NSynonyms
1(35BIS(TERTBUTYL)4HYDROXYPHENYL)2(5(34DIMETHOXYPHENYL)4(3(TRIFLUOROMETHYL)PHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
1(35DITERTBUTYL4HYDROXYPHENYL)2((5(34DIMETHOXYPHENYL)4(3(TRIFLUOROMETHYL)PHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(35ditertbutyl4hydroxyphenyl)2((5(34dimethoxyphenyl)4(3(trifluoromethyl)phenyl)4H124triazol3yl)sulfanyl)ethanone
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC
InChI=1SC33H36F3N3O4Sc131(23)231420(1524(28(23)41)32(45)6)25(40)184430383729(19121326(427)27(1619)438)39(30)221191021(1722)33(3435)36h91741H18H218H3
MFCD05719014
ZINC000097987834
ZINC97987834
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