Vitas-M small molecule compound
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL415715
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)N1CCCC1
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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 C17H22N4O2S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S/c1-3-21-16(13-6-8-14(23-2)9-7-13)18-19-17(21)24-12-15(22)20-10-4-5-11-20/h6-9H,3-5,10-12H2,1-2H3InChIKey
PTPZHVDSBSKBJS-UHFFFAOYSA-NSynonyms
2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)OC
InChI=1SC17H22N4O2Sc132116(136814(232)9713)181917(21)241215(22)2010451120h69H351012H212H3
MFCD07932740
ZINC000005208463
ZINC05208463
ZINC5208463
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