Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL047777
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-4-36-23-12-11-22(19-24(23)37-5-2)26-25(27(32)21-9-7-20(3)8-10-21)28(33)29(34)31(26)14-6-13-30-15-17-35-18-16-30/h7-12,19,26,32H,4-6,13-18H2,1-3H3/b27-25+InChIKey
QCNLJFAHDCYICM-IMVLJIQESA-NSynonyms
586995-00-8(4E)5(34DIETHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
5(34DIETHOXYPHENYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
586995008
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC29H36N2O6c143623121122(1924(23)3752)2625(27(32)219720(3)81021)28(33)29(34)31(26)1461330151735181630h712192632H461318H213H3b2725+
MFCD18249133
ZINC000008988078
ZINC000008988081
Check stock
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Check stock on Vitas-MAvailable files
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