Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL405959
SMILES O=C(N1CCCC1)CSc1nnc(n1Cc1ccccc1)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(26-12-6-7-13-26)16-30-23-25-24-22(27(23)15-17-8-2-1-3-9-17)20-14-18-10-4-5-11-19(18)29-20/h1-5,8-11,14H,6-7,12-13,15-16H2InChIKey
NUKFEUCALJCIPL-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4benzyl124triazol3yl)sulfanyl)1pyrrolidin1ylethanone
2((5(1benzofuran2yl)4benzyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
C1CCN(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4
InChI=1SC23H22N4O2Sc2821(2612671326)163023252422(27(23)15178213917)20141810451119(18)2920h1581114H6712131516H2
MFCD27222530
ZINC000020193772
ZINC20193772
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