Vitas-M small molecule compound
1-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK577729
SMILES Clc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1ccc(cc1)Cl
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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 C20H19Cl2N3OS MW 420.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N3OS/c1-20(2,3)17(26)12-27-19-24-23-18(13-4-6-14(21)7-5-13)25(19)16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3InChIKey
DTRCBJWIOLGXGX-UHFFFAOYSA-NSynonyms
861631-27-81((45BIS(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((45bis(4chlorophenyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((45bis(4chlorophenyl)4H124triazol3yl)thio)33dimethylbutan2one
1(45BIS(4CHLOROPHENYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
861631278
CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI=1SC20H19Cl2N3OSc120(23)17(26)122719242318(134614(21)7513)25(19)1610815(22)91116h411H12H213H3
MFCD05518568
ZINC000009308992
ZINC09308992
ZINC9308992
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