Vitas-M small molecule compound
(E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Catalog ID
STL045427
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)c1cccc[nH+]1)/[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 C25H22N2O6 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6/c1-31-17-10-7-15(8-11-17)23(28)21-22(16-9-12-18(32-2)19(14-16)33-3)27(25(30)24(21)29)20-6-4-5-13-26-20/h4-14,22,28H,1-3H3/b23-21+InChIKey
TYALCQSCPYLKAP-XTQSDGFTSA-NSynonyms
(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
5(34DIMETHOXYPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=C(C=C4)OC)OC)O
COc1ccc(cc1)C(=C1C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)c1cccc(nH+)1)(O)
InChI=1SC25H22N2O6c1311710715(81117)23(28)2122(1691218(322)19(1416)333)27(25(30)24(21)29)20645132620h4142228H13H3b2321+
MFCD18248637
ZINC000102878922
ZINC000102878924
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