Vitas-M small molecule compound
(E)-(4-fluorophenyl)[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL150461
SMILES Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)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 C21H13F2N3O3 MW 393.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13F2N3O3/c22-13-8-6-12(7-9-13)18(27)16-17(14-4-1-2-5-15(14)23)26(20(29)19(16)28)21-24-10-3-11-25-21/h1-11,17,27H/b18-16+InChIKey
UAQHDNPYQJILLG-FBMGVBCBSA-NSynonyms
(4E)5(2FLUOROPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1PYRIMIDIN2YLPYRROLIDINE23DIONE
(E)(4fluorophenyl)(2(2fluorophenyl)45dioxo1(pyrimidin1ium2yl)pyrrolidin3ylidene)methanolate
4(4FLUOROBENZOYL)5(2FLUOROPHENYL)3HYDROXY1(2PYRIMIDINYL)15DIHYDRO2HPYRROL2ONE
5(2FLUOROPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY1PYRIMIDIN2YL3PYRROLIN2ONE
C1=CC=C(C(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NC=CC=N4)F
Fc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)c1nccc(nH+)1)(O)
InChI=1SC21H13F2N3O3c22138612(7913)18(27)1617(14412515(14)23)26(20(29)19(16)28)2124103112521h1111727Hb1816+
MFCD20755835
ZINC000102930704
ZINC000102930706
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