Vitas-M small molecule compound
(E)-[4,5-dioxo-2-phenyl-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STL150885
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C25H22N2O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4/c1-2-16-31-19-13-11-18(12-14-19)23(28)21-22(17-8-4-3-5-9-17)27(25(30)24(21)29)20-10-6-7-15-26-20/h3-15,22,28H,2,16H2,1H3/b23-21+InChIKey
SGSLKOUXOJGDOZ-XTQSDGFTSA-NSynonyms
614747-90-9(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5PHENYL1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(45dioxo2phenyl1(pyridinium2yl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
614747909
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=CC=C4)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1)c1cccc(nH+)1)(O)
InChI=1SC25H22N2O4c12163119131118(121419)23(28)2122(178435917)27(25(30)24(21)29)201067152620h3152228H216H21H3b2321+
MFCD20755927
ZINC000102934622
ZINC000102934625
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