Vitas-M small molecule compound
(E)-[4,5-dioxo-2-phenyl-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Catalog ID
STL045158
SMILES Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1nccc[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 C21H14FN3O3 MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14FN3O3/c22-15-9-7-14(8-10-15)18(26)16-17(13-5-2-1-3-6-13)25(20(28)19(16)27)21-23-11-4-12-24-21/h1-12,17,26H/b18-16+InChIKey
LURQSPINNOIUHY-FBMGVBCBSA-NSynonyms
371204-54-5(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5PHENYL1PYRIMIDIN2YLPYRROLIDINE23DIONE
(E)(45dioxo2phenyl1(pyrimidin1ium2yl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
371204545
4((4FLUOROPHENYL)CARBONYL)3HYDROXY5PHENYL1PYRIMIDIN2YL3PYRROLIN2ONE
C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NC=CC=N4
Fc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1)c1nccc(nH+)1)(O)
InChI=1SC21H14FN3O3c22159714(81015)18(26)1617(135213613)25(20(28)19(16)27)2123114122421h1121726Hb1816+
MFCD18248577
ZINC000102876639
ZINC000102876642
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