Vitas-M small molecule compound
(E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK560882
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1cccc[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 C25H19N3O6 MW 457.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O6/c1-2-14-34-19-11-9-16(10-12-19)23(29)21-22(17-6-5-7-18(15-17)28(32)33)27(25(31)24(21)30)20-8-3-4-13-26-20/h2-13,15,22,29H,1,14H2/b23-21+InChIKey
ULANRLUWFSQBFO-XTQSDGFTSA-NSynonyms
636989-48-5(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(3nitrophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
3HYDROXY5(3NITROPHENYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
636989485
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=CC=C4)(N+)(=O)(O))O
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1cccc(nH+)1)(O)
InChI=1SC25H19N3O6c1214341911916(101219)23(29)2122(1765718(1517)28(32)33)27(25(31)24(21)30)20834132620h213152229H114H2b2321+
MFCD18243653
ZINC000101287866
ZINC000101287869
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