Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-2-yl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Catalog ID
STL054709
SMILES Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccn1)Cc1ccc[nH+]c1)/[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 C22H16FN3O3 MW 389.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O3/c23-16-8-6-15(7-9-16)20(27)18-19(17-5-1-2-11-25-17)26(22(29)21(18)28)13-14-4-3-10-24-12-14/h1-12,19,27H,13H2/b20-18+InChIKey
UFCWSYFXRZXPEL-CZIZESTLSA-NSynonyms
618878-60-7(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5PYRIDIN2YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN2YLPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin2yl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
618878607
C1=CC=NC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CC4=CN=CC=C4
Fc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccn1)Cc1ccc(nH+)c1)(O)
InChI=1SC22H16FN3O3c23168615(7916)20(27)1819(17512112517)26(22(29)21(18)28)13144310241214h1121927H13H2b2018+
MFCD18249624
ZINC000102893912
ZINC000102893915
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