Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(4-ethoxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL046971
SMILES CCOc1ccc(cc1OC)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 C29H34N2O8 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O8/c1-3-37-21-7-5-19(17-23(21)35-2)26-25(27(32)20-6-8-22-24(18-20)39-16-15-38-22)28(33)29(34)31(26)10-4-9-30-11-13-36-14-12-30/h5-8,17-18,26,32H,3-4,9-16H2,1-2H3/b27-25+InChIKey
JKOVASMUJCCKDP-IMVLJIQESA-NSynonyms
618409-68-0(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(4ethoxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(4ETHOXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
618409680
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC29H34N2O8c1337217519(1723(21)352)2625(27(32)20682224(1820)3916153822)28(33)29(34)31(26)104930111336141230h5817182632H34916H212H3b2725+
MFCD18248967
ZINC000102881934
ZINC000102881935
Check stock
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