Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK580253
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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 C29H34N2O8 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O8/c1-3-36-21-7-5-19(17-23(21)37-4-2)26-25(27(32)20-6-8-22-24(18-20)39-16-15-38-22)28(33)29(34)31(26)10-9-30-11-13-35-14-12-30/h5-8,17-18,26,32H,3-4,9-16H2,1-2H3/b27-25+InChIKey
KDDCUHBUFILUJG-IMVLJIQESA-NSynonyms
573948-35-3(4E)5(34DIETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
573948353
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC29H34N2O8c1336217519(1723(21)3742)2625(27(32)20682224(1820)3916153822)28(33)29(34)31(26)10930111335141230h5817182632H34916H212H3b2725+
MFCD07197902
ZINC000102588177
ZINC000102588186
Check stock
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