Vitas-M small molecule compound
(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL150877
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)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 C25H19ClN2O4 MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O4/c1-2-15-32-19-12-8-17(9-13-19)23(29)21-22(16-6-10-18(26)11-7-16)28(25(31)24(21)30)20-5-3-4-14-27-20/h2-14,22,29H,1,15H2/b23-21+InChIKey
DSWLGRSFPCNQID-XTQSDGFTSA-NSynonyms
615272-27-0(4E)5(4CHLOROPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4chlorophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
5(4CHLOROPHENYL)3HYDROXY4((4PROP2ENYLOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
615272270
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC=C(C=C4)Cl)O
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1cccc(nH+)1)(O)
InChI=1SC25H19ClN2O4c1215321912817(91319)23(29)2122(1661018(26)11716)28(25(31)24(21)30)20534142720h2142229H115H2b2321+
MFCD20755925
ZINC000101287415
ZINC000101287418
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