Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL043925
SMILES Fc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]
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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 C25H20FN3O4 MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O4/c26-18-8-6-16(7-9-18)22-21(23(30)20-14-17-4-1-2-5-19(17)33-20)24(31)25(32)29(22)12-3-11-28-13-10-27-15-28/h1-2,4-10,13-15,22,30H,3,11-12H2/b23-21+InChIKey
ODPIHALDMKBXJI-XTQSDGFTSA-NSynonyms
(E)1benzofuran2yl(2(4fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
Fc1ccc(cc1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18248314
ZINC000102874727
ZINC000102874730
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