Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK569852
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C32H40N2O8 MW 580.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O8/c1-3-5-15-40-24-9-7-22(20-26(24)39-4-2)29-28(30(35)23-8-10-25-27(21-23)42-19-18-41-25)31(36)32(37)34(29)12-6-11-33-13-16-38-17-14-33/h7-10,20-21,29,35H,3-6,11-19H2,1-2H3/b30-28+InChIKey
QJEKFYWUVYMRIZ-SJCQXOIGSA-NSynonyms
(4E)5(4BUTOXY3ETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(4BUTOXY3ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC32H40N2O8c1351540249722(2026(24)3942)2928(30(35)238102527(2123)4219184125)31(36)32(37)34(29)1261133131638171433h71020212935H361119H212H3b3028+
MFCD18245329
ZINC000102559339
ZINC000102559347
Check stock
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