Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK581590
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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 C29H36N2O7 MW 524.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O7/c1-5-7-14-36-21-10-8-19(17-23(21)35-6-2)26-25(28(33)29(34)31(26)13-12-30(3)4)27(32)20-9-11-22-24(18-20)38-16-15-37-22/h8-11,17-18,26,32H,5-7,12-16H2,1-4H3/b27-25+InChIKey
QCNOOUDBLWIRNH-IMVLJIQESA-NSynonyms
620559-73-1(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(4butoxy3ethoxyphenyl)1(2(dimethylazaniumyl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620559731
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(C)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC29H36N2O7c15714362110819(1723(21)3562)2625(28(33)29(34)31(26)131230(3)4)27(32)209112224(1820)3816153722h81117182632H571216H214H3b2725+
MFCD07210830
ZINC000102591319
ZINC000102591325
Check stock
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Check stock on Vitas-MAvailable files
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