Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl){2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL038014
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+]1CCOCC1)/[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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-18-5-7-20(8-6-18)24-23(25(30)21-9-10-22(33-3)19(2)17-21)26(31)27(32)29(24)12-4-11-28-13-15-34-16-14-28/h5-10,17,24,30H,4,11-16H2,1-3H3/b25-23+InChIKey
BXDZGUKLTHFIHD-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4methoxy3methylphenyl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4METHOXY3METHYLPHENYL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4METHOXY3METHYLBENZOYL)5(4METHYLPHENYL)1(3(4MORPHOLINYL)PROPYL)15DIHYDRO2HPYRROL2ONE
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC27H32N2O5c1185720(8618)2423(25(30)2191022(333)19(2)1721)26(31)27(32)29(24)1241128131534161428h510172430H41116H213H3b2523+
MFCD18247536
ZINC000006407173
ZINC000102860232
Check stock
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Check stock on Vitas-MAvailable files
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