Vitas-M small molecule compound

(E)-(4-chlorophenyl)[2-(3-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STK566039
SMILES Fc1cccc(c1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[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 C23H16ClFN2O3 MW 422.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClFN2O3/c24-17-8-6-15(7-9-17)21(28)19-20(16-4-1-5-18(25)11-16)27(23(30)22(19)29)13-14-3-2-10-26-12-14/h1-12,20,28H,13H2/b21-19+
InChIKey
CQIAXOFIJQJBDT-XUTLUUPISA-N
Synonyms
431072-80-9
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(3FLUOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4CHLOROPHENYL)(2(3FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4chlorophenyl)(2(3fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
431072809
C1=CC(=CC(=C1)F)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
Fc1cccc(c1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)(O)
InChI=1SC23H16ClFN2O3c24178615(7917)21(28)1920(1641518(25)1116)27(23(30)22(19)29)13143210261214h1122028H13H2b2119+
MFCD18244922
ZINC000102649872
ZINC000102649875

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Available files

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