Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL147593
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC[NH+](C)C)/[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 C25H25ClN2O5 MW 468.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O5/c1-27(2)12-5-13-28-21(15-8-10-17(26)11-9-15)20(23(30)25(28)31)22(29)19-14-16-6-4-7-18(32-3)24(16)33-19/h4,6-11,14,21,29H,5,12-13H2,1-3H3/b22-20+InChIKey
NDWXSXIWKIQTBF-LSDHQDQOSA-NSynonyms
(E)(2(4chlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC(NH+)(C)C)(O)
MFCD20755227
ZINC000009302062
ZINC000009339544
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