Vitas-M small molecule compound
(E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STK565455
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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 C25H21FN2O4 MW 432.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O4/c1-2-15-32-19-12-8-17(9-13-19)23(29)21-22(16-6-10-18(26)11-7-16)28(25(31)24(21)30)20-5-3-4-14-27-20/h3-14,22,29H,2,15H2,1H3/b23-21+InChIKey
JDFNJFNOLUPQBB-XTQSDGFTSA-NSynonyms
638133-76-3(4E)5(4FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4fluorophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
638133763
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)F)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)c1cccc(nH+)1)(O)
InChI=1SC25H21FN2O4c1215321912817(91319)23(29)2122(1661018(26)11716)28(25(31)24(21)30)20534142720h3142229H215H21H3b2321+
MFCD18244794
ZINC000102535081
ZINC000102535088
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