Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{2-(4-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044276
SMILES CCOc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[O-]
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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 C34H38N2O6 MW 570.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O6/c1-3-41-28-13-10-26(11-14-28)31-30(33(38)34(39)36(31)17-7-16-35-18-20-40-21-19-35)32(37)27-12-15-29(24(2)22-27)42-23-25-8-5-4-6-9-25/h4-6,8-15,22,31,37H,3,7,16-21,23H2,1-2H3/b32-30+InChIKey
DLSDNZZBUZFMIU-NHQGMKOOSA-NSynonyms
(4E)5(4ETHOXYPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(4ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5
CCOc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC34H38N2O6c134128131026(111428)3130(33(38)34(39)36(31)1771635182040211935)32(37)27121529(24(2)2227)4223258546925h46815223137H37162123H212H3b3230+
MFCD18248389
ZINC000102874482
ZINC000102874488
Check stock
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Check stock on Vitas-MAvailable files
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