Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL045695
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C32H40N2O7 MW 564.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O7/c1-4-6-15-40-26-10-7-22(20-27(26)39-5-2)29-28(30(35)23-8-9-25-24(19-23)18-21(3)41-25)31(36)32(37)34(29)12-11-33-13-16-38-17-14-33/h7-10,19-21,29,35H,4-6,11-18H2,1-3H3/b30-28+InChIKey
NYAJGJMJGMVXLI-SJCQXOIGSA-NSynonyms
(4E)5(4BUTOXY3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4BUTOXY3ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN5CCOCC5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC32H40N2O7c14615402610722(2027(26)3952)2928(30(35)23892524(1923)1821(3)4125)31(36)32(37)34(29)121133131638171433h71019212935H461118H213H3b3028+
MFCD18248688
ZINC000102877863
ZINC000102877874
Check stock
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