Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL049704
SMILES CCOc1cc(ccc1OCC)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 C30H36N2O8 MW 552.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O8/c1-3-37-22-8-6-20(18-24(22)38-4-2)27-26(28(33)21-7-9-23-25(19-21)40-17-16-39-23)29(34)30(35)32(27)11-5-10-31-12-14-36-15-13-31/h6-9,18-19,27,33H,3-5,10-17H2,1-2H3/b28-26+InChIKey
IPZNCHOSDSDTNJ-BYCLXTJYSA-NSynonyms
(4E)5(34DIETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC30H36N2O8c1337228620(1824(22)3842)2726(28(33)21792325(1921)4017163923)29(34)30(35)32(27)1151031121436151331h6918192733H351017H212H3b2826+
MFCD18249285
ZINC000102886000
ZINC000102886003
Check stock
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Check stock on Vitas-MAvailable files
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