Vitas-M small molecule compound
(E)-(4-fluorophenyl)[2-(4-nitrophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL037389
SMILES Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])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 C21H13FN4O5 MW 420.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FN4O5/c22-14-6-2-13(3-7-14)18(27)16-17(12-4-8-15(9-5-12)26(30)31)25(20(29)19(16)28)21-23-10-1-11-24-21/h1-11,17,27H/b18-16+InChIKey
ONXBMEUONNWTBW-FBMGVBCBSA-NSynonyms
(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4NITROPHENYL)1PYRIMIDIN2YLPYRROLIDINE23DIONE
(E)(4fluorophenyl)(2(4nitrophenyl)45dioxo1(pyrimidin1ium2yl)pyrrolidin3ylidene)methanolate
4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4NITROPHENYL)1PYRIMIDIN2YL3PYRROLIN2ONE
C1=CN=C(N=C1)N2C(C(=C(C3=CC=C(C=C3)F)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O)
Fc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nccc(nH+)1)(O)
InChI=1SC21H13FN4O5c22146213(3714)18(27)1617(124815(9512)26(30)31)25(20(29)19(16)28)2123101112421h1111727Hb1816+
MFCD18247416
ZINC000102857856
ZINC000102857860
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