Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL045821
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C31H38N2O7 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O7/c1-4-38-25-10-7-21(19-26(25)39-5-2)28-27(29(34)22-8-9-24-23(18-22)17-20(3)40-24)30(35)31(36)33(28)12-6-11-32-13-15-37-16-14-32/h7-10,18-20,28,34H,4-6,11-17H2,1-3H3/b29-27+InChIKey
VMRSGNWCMRUIAF-ORIPQNMZSA-NSynonyms
(4E)5(34DIETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC31H38N2O7c14382510721(1926(25)3952)2827(29(34)22892423(1822)1720(3)4024)30(35)31(36)33(28)1261132131537161432h71018202834H461117H213H3b2927+
MFCD18248716
ZINC000102878348
ZINC000102878357
Check stock
See real-time availability and sample size for STL045821 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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