Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl)[2-(2-fluorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK565553
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)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 C23H16ClFN2O4 MW 438.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClFN2O4/c1-31-17-10-9-13(12-15(17)24)21(28)19-20(14-6-2-3-7-16(14)25)27(23(30)22(19)29)18-8-4-5-11-26-18/h2-12,20,28H,1H3/b21-19+InChIKey
WQNBPKMNINSFJN-XUTLUUPISA-NSynonyms
842975-88-6(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(2fluorophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)methanolate
842975886
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=CC=C4F)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccccc1F)c1cccc(nH+)1)(O)
InChI=1SC23H16ClFN2O4c1311710913(1215(17)24)21(28)1920(14623716(14)25)27(23(30)22(19)29)18845112618h2122028H1H3b2119+
MFCD18244819
ZINC000102535789
ZINC000102535796
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