Vitas-M small molecule compound
(E)-(4-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL039524
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-3-16-34-22-10-8-20(9-11-22)24-23(25(30)21-6-4-19(2)5-7-21)26(31)27(32)29(24)13-12-28-14-17-33-18-15-28/h4-11,24,30H,3,12-18H2,1-2H3/b25-23+InChIKey
NBPDXYMFJVTGDE-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methylphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHYLPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4METHYLBENZOYL)1(2(4MORPHOLINYL)ETHYL)5(4PROPOXYPHENYL)15DIHYDRO2HPYRROL2ONE
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H32N2O5c1316342210820(91122)2423(25(30)216419(2)5721)26(31)27(32)29(24)131228141733181528h4112430H31218H212H3b2523+
MFCD18247846
ZINC000009046768
ZINC000009046769
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.