Vitas-M small molecule compound
(E)-{2-(3-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK565407
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CCC[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 C27H27ClN2O6 MW 510.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O6/c1-34-20-8-3-6-18-16-21(36-26(18)20)24(31)22-23(17-5-2-7-19(28)15-17)30(27(33)25(22)32)10-4-9-29-11-13-35-14-12-29/h2-3,5-8,15-16,23,31H,4,9-14H2,1H3/b24-22+InChIKey
RGJXJWQLEOVRBW-ZNTNEXAZSA-NSynonyms
(E)(2(3chlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CCC(NH+)1CCOCC1)(O)
MFCD18244775
ZINC000102534718
ZINC000102534725
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