Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL364381
SMILES O=C(N1CCCC1)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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c27-20(25-12-6-7-13-25)15-29-22-24-23-21(26(22)17-9-2-1-3-10-17)19-14-16-8-4-5-11-18(16)28-19/h1-5,8-11,14H,6-7,12-13,15H2InChIKey
IXPKXQCVJCGRJS-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4phenyl124triazol3yl)sulfanyl)1pyrrolidin1ylethanone
2((5(1benzofuran2yl)4phenyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4
InChI=1SC22H20N4O2Sc2720(2512671325)152922242321(26(22)1792131017)1914168451118(16)2819h1581114H67121315H2
MFCD09476096
ZINC000008784924
ZINC08784924
ZINC8784924
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