Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK652181
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(n1C1CCCCC1)c1ccc(cc1)O
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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-31-20-12-16-13-22(23(30)19(16)14-21(20)32-2)33-25-27-26-24(15-8-10-18(29)11-9-15)28(25)17-6-4-3-5-7-17/h8-12,14,17,22,29H,3-7,13H2,1-2H3InChIKey
NZNNPANSHBCTGC-UHFFFAOYSA-NSynonyms
1144460-53-61144460536
2((4cyclohexyl5(4hydroxyphenyl)4H124triazol3yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((4cyclohexyl5(4hydroxyphenyl)4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
MFCD12214204
ZINC000032093080
ZINC000032093082
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