Vitas-M small molecule compound
(E)-{2-(3-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK560412
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CC[NH+]1CCOCC1)/[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 C26H25ClN2O6 MW 496.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O6/c1-33-19-7-3-5-17-15-20(35-25(17)19)23(30)21-22(16-4-2-6-18(27)14-16)29(26(32)24(21)31)9-8-28-10-12-34-13-11-28/h2-7,14-15,22,30H,8-13H2,1H3/b23-21+InChIKey
AUYPLLUZGBLSGO-XTQSDGFTSA-NSynonyms
(E)(2(3chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CC(NH+)1CCOCC1)(O)
MFCD18243531
ZINC000102642377
ZINC000102642380
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