Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-chlorophenyl)ethanone
Catalog ID
STL057951
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2Cl)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 C27H26ClN3O2S MW 492.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S/c1-27(2,3)19-11-9-18(10-12-19)25-29-30-26(31(25)20-13-15-21(33-4)16-14-20)34-17-24(32)22-7-5-6-8-23(22)28/h5-16H,17H2,1-4H3InChIKey
CPQMJTIAFBTGAH-UHFFFAOYSA-NSynonyms
577697-92-82((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(2chlorophenyl)ethanone
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(2CHLOROPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(2CHLOROPHENYL)ETHANONE
577697928
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C4=CC=CC=C4Cl
InChI=1SC27H26ClN3O2Sc127(23)1911918(101219)25293026(31(25)20131521(334)161420)341724(32)22756823(22)28h516H17H214H3
MFCD03224016
ZINC000002381870
ZINC02381870
ZINC2381870
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