Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Catalog ID
STL346581
SMILES Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1ccc(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 C27H26ClN3OS MW 476.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3OS/c1-18-5-15-23(16-6-18)31-25(20-7-11-21(12-8-20)27(2,3)4)29-30-26(31)33-17-24(32)19-9-13-22(28)14-10-19/h5-16H,17H2,1-4H3InChIKey
RBJPTQLIFGQKCF-UHFFFAOYSA-NSynonyms
848930-85-82((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)1(4chlorophenyl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)1(4CHLOROPHENYL)ETHANONE
2((5(4tertbutylphenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)1(4chlorophenyl)ethanone
848930858
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC27H26ClN3OSc11851523(16618)3125(2071121(12820)27(23)4)293026(31)331724(32)1991322(28)141019h516H17H214H3
MFCD05678224
ZINC000002444767
ZINC02444767
ZINC2444767
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