Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK278529
SMILES COc1ccccc1c1nnc(n1C1CCCCC1)SCC(=O)c1ccccc1
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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 C23H25N3O2S MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O2S/c1-28-21-15-9-8-14-19(21)22-24-25-23(26(22)18-12-6-3-7-13-18)29-16-20(27)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18H,3,6-7,12-13,16H2,1H3InChIKey
NKEKQPQVUWQPII-UHFFFAOYSA-NSynonyms
2((4cyclohexyl5(2methoxyphenyl)124triazol3yl)sulfanyl)1phenylethanone
2((4cyclohexyl5(2methoxyphenyl)4H124triazol3yl)sulfanyl)1phenylethanone
COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)C4=CC=CC=C4
InChI=1SC23H25N3O2Sc1282115981419(21)22242523(26(22)18126371318)291620(27)17104251117h245811141518H367121316H21H3
MFCD09269327
ZINC000006140801
ZINC06140801
ZINC6140801
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