Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(4-chlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL037411
SMILES CC[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC
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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 C25H25ClN2O4 MW 452.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O4/c1-3-27(4-2)13-14-28-22(16-9-11-18(26)12-10-16)21(24(30)25(28)31)23(29)20-15-17-7-5-6-8-19(17)32-20/h5-12,15,22,29H,3-4,13-14H2,1-2H3/b23-21+InChIKey
YESJCFMNDPJMFL-XTQSDGFTSA-NSynonyms
(E)1benzofuran2yl(2(4chlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
CC(NH+)(CCN1C(c2ccc(cc2)Cl)C(=C(c2cc3c(o2)cccc3)(O))C(=O)C1=O)CC
MFCD18247423
ZINC000102858775
ZINC000102858779
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