Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL051544
SMILES CCOc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-4-36-23-9-5-21(6-10-23)26-25(27(32)22-7-11-24(12-8-22)37-19-20(2)3)28(33)29(34)31(26)14-13-30-15-17-35-18-16-30/h5-12,20,26,32H,4,13-19H2,1-3H3/b27-25+InChIKey
QHULCELAQVLBNM-IMVLJIQESA-NSynonyms
845801-73-2(4E)5(4ETHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(4ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
845801732
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC(C)C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
CCOc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O)
InChI=1SC29H36N2O6c1436239521(61023)2625(27(32)2271124(12822)371920(2)3)28(33)29(34)31(26)141330151735181630h512202632H41319H213H3b2725+
MFCD18249406
ZINC000009460758
ZINC000009460759
Check stock
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Check stock on Vitas-MAvailable files
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