Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK576205
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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 C29H36N2O7 MW 524.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O7/c1-5-30(6-2)13-14-31-26(19-9-11-21(35-7-3)23(17-19)36-8-4)25(28(33)29(31)34)27(32)20-10-12-22-24(18-20)38-16-15-37-22/h9-12,17-18,26,32H,5-8,13-16H2,1-4H3/b27-25+InChIKey
KOBBWOOTFKUGGM-IMVLJIQESA-NSynonyms
620561-29-7(4E)5(34DIETHOXYPHENYL)1(2DIETHYLAMINOETHYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(34diethoxyphenyl)1(2(diethylazaniumyl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620561297
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC29H36N2O7c1530(62)13143126(1991121(3573)23(1719)3684)25(28(33)29(31)34)27(32)2010122224(1820)3816153722h91217182632H581316H214H3b2725+
MFCD07203245
ZINC000102579086
ZINC000102579091
Check stock
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Check stock on Vitas-MAvailable files
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