Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK566747
SMILES CC(c1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1)C
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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 C25H22N2O3 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O3/c1-16(2)17-11-13-18(14-12-17)22-21(23(28)19-8-4-3-5-9-19)24(29)25(30)27(22)20-10-6-7-15-26-20/h3-16,22,28H,1-2H3/b23-21+InChIKey
DRRHHJHIWKVGRO-XTQSDGFTSA-NSynonyms
383899-90-9(4E)4(HYDROXY(PHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium2yl)pyrrolidin3ylidene)(phenyl)methanolate
383899909
3HYDROXY5(4(METHYLETHYL)PHENYL)4(PHENYLCARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2C4=CC=CC=N4
CC(c1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1c1cccc(nH+)1)C
InChI=1SC25H22N2O3c116(2)17111318(141217)2221(23(28)198435919)24(29)25(30)27(22)201067152620h3162228H12H3b2321+
MFCD18245090
ZINC000102401924
ZINC000102401926
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