Vitas-M small molecule compound
(E)-[1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK560556
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/[O-])/C1c1cc[nH+]cc1
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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-13-12-15(4-5-16(13)28-3)19(24)17-18(14-6-8-22-9-7-14)23(10-11-27-2)21(26)20(17)25/h4-9,12,18,24H,10-11H2,1-3H3/b19-17+InChIKey
UCAMDAYZCIWZDY-HTXNQAPBSA-NSynonyms
(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(2METHOXYETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(2methoxyethyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(2METHOXYETHYL)45DIOXO2PYRIDIN1IUM4YLPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)1(2METHOXYETHYL)5(PYRIDIN4YL)25DIHYDRO1HPYRROL2ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC=(NH+)C=C3)(O))OC
COCCN1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)(O))C1c1cc(nH+)cc1
InChI=1SC21H22N2O5c1131215(4516(13)283)19(24)1718(1468229714)23(1011272)21(26)20(17)25h49121824H1011H213H3b1917+
MFCD18243567
ZINC000102496981
ZINC000102496991
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.