Vitas-M small molecule compound
1-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK589178
SMILES Clc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)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 C21H22ClN3OS MW 399.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3OS/c1-14-6-5-7-15(12-14)19-23-24-20(27-13-18(26)21(2,3)4)25(19)17-10-8-16(22)9-11-17/h5-12H,13H2,1-4H3InChIKey
NOPRCVDLGDAZFV-UHFFFAOYSA-NSynonyms
861119-68-81((4(4CHLOROPHENYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((4(4chlorophenyl)5(3methylphenyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((4(4chlorophenyl)5(mtolyl)4H124triazol3yl)thio)33dimethylbutan2one
1(4(4CHLOROPHENYL)5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
861119688
CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C(C)(C)C
InChI=1SC21H22ClN3OSc11465715(1214)19232420(271318(26)21(23)4)25(19)1710816(22)91117h512H13H214H3
MFCD05683236
ZINC000005477931
ZINC05477931
ZINC5477931
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