Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-ethoxy-4-propoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL057648
SMILES CCCOc1ccc(cc1OCC)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 C30H36N2O8 MW 552.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O8/c1-3-13-38-22-7-5-20(18-24(22)37-4-2)27-26(28(33)21-6-8-23-25(19-21)40-17-16-39-23)29(34)30(35)32(27)10-9-31-11-14-36-15-12-31/h5-8,18-19,27,33H,3-4,9-17H2,1-2H3/b28-26+InChIKey
QBRROGKFONZWFD-BYCLXTJYSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROPOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4propoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4PROPOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC30H36N2O8c131338227520(1824(22)3742)2726(28(33)21682325(1921)4017163923)29(34)30(35)32(27)10931111436151231h5818192733H34917H212H3b2826+
MFCD18249824
ZINC000102897171
ZINC000102897173
Check stock
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