Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Catalog ID
STL364400
SMILES O=C(N1CCCCC1)CSc1nnc(n1c1ccccc1)c1cc2c(o1)cccc2
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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 C23H22N4O2S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S/c28-21(26-13-7-2-8-14-26)16-30-23-25-24-22(27(23)18-10-3-1-4-11-18)20-15-17-9-5-6-12-19(17)29-20/h1,3-6,9-12,15H,2,7-8,13-14,16H2InChIKey
NGEOEESMHMPTTF-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4phenyl124triazol3yl)sulfanyl)1piperidin1ylethanone
2((5(1benzofuran2yl)4phenyl4H124triazol3yl)sulfanyl)1(piperidin1yl)ethanone
C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4
InChI=1SC23H22N4O2Sc2821(26137281426)163023252422(27(23)18103141118)2015179561219(17)2920h13691215H278131416H2
MFCD09172744
ZINC000011410978
ZINC11410978
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