Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(3-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL045828
SMILES Clc1cccc(c1)C1N(CC[NH+]2CCOCC2)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 C25H23ClN2O5 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O5/c26-18-6-3-5-17(14-18)22-21(23(29)20-15-16-4-1-2-7-19(16)33-20)24(30)25(31)28(22)9-8-27-10-12-32-13-11-27/h1-7,14-15,22,29H,8-13H2/b23-21+InChIKey
LCJLZLMYTGGQOI-XTQSDGFTSA-NSynonyms
(E)1benzofuran2yl(2(3chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
Clc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18248718
ZINC000102878727
ZINC000102878730
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