Vitas-M small molecule compound
(E)-[1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL528601
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)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(28-3)4-5-16(13)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
WJYFSFISXQCGNQ-HTXNQAPBSA-NSynonyms
(4~(E))4(hydroxy(4methoxy2methylphenyl)methylidene)1(2methoxyethyl)5pyridin4ylpyrrolidine23dione
(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(2METHOXYETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(2methoxyethyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
5768041
InChI=1SC21H22N2O5c1131215(283)4516(13)19(24)1718(1468229714)23(1011272)21(26)20(17)25h49121824H1011H213H3b1917+
MFCD08730724
ZINC000103888006
ZINC000103888011
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