Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL047307
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-7-35-23-15-12-21(18-24(23)36-8-2)26-25(28(33)29(34)31(26)17-9-16-30(5)6)27(32)20-10-13-22(14-11-20)37-19(3)4/h10-15,18-19,26,32H,7-9,16-17H2,1-6H3/b27-25+InChIKey
IJAUYSUADCYBON-IMVLJIQESA-NSynonyms
577999-63-4(4E)5(34DIETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
5(34DIETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)3PYRROLIN2ONE
577999634
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)O)C(=O)C(=O)N2CCCN(C)C)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC29H38N2O6c173523151221(1824(23)3682)2625(28(33)29(34)31(26)1791630(5)6)27(32)20101322(141120)3719(3)4h101518192632H791617H216H3b2725+
MFCD18249045
ZINC000102882890
ZINC000102882892
Check stock
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Check stock on Vitas-MAvailable files
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