Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL041116
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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 C30H38N2O7 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O7/c1-5-31(6-2)14-9-15-32-27(20-10-12-22(36-7-3)24(18-20)37-8-4)26(29(34)30(32)35)28(33)21-11-13-23-25(19-21)39-17-16-38-23/h10-13,18-19,27,33H,5-9,14-17H2,1-4H3/b28-26+InChIKey
GBLHTTJUOHHVIJ-BYCLXTJYSA-NSynonyms
585557-13-7(4E)5(34DIETHOXYPHENYL)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
585557137
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC(=C(C=C4)OCC)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC30H38N2O7c1531(62)149153227(20101222(3673)24(1820)3784)26(29(34)30(32)35)28(33)2111132325(1921)3917163823h101318192733H591417H214H3b2826+
MFCD18248077
ZINC000102867269
ZINC000102867271
Check stock
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Check stock on Vitas-MAvailable files
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