Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STK566059
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-6-30(7-2)17-10-18-31-26(22-15-16-23(35-8-3)24(19-22)36-9-4)25(28(33)29(31)34)27(32)21-13-11-20(5)12-14-21/h11-16,19,26,32H,6-10,17-18H2,1-5H3/b27-25+InChIKey
NAFQCHNHFIMMKH-IMVLJIQESA-NSynonyms
578722-77-7(4E)5(34DIETHOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
5(34DIETHOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)3HYDROXY4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
578722777
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)OCC)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC29H38N2O5c1630(72)1710183126(22151623(3583)24(1922)3694)25(28(33)29(31)34)27(32)21131120(5)121421h1116192632H6101718H215H3b2725+
MFCD18244928
ZINC000009070974
ZINC000009070982
Check stock
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Check stock on Vitas-MAvailable files
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