Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl)[2-(3-chlorophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL047068
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)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 C23H16Cl2N2O4 MW 455.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N2O4/c1-31-17-9-8-14(12-16(17)25)21(28)19-20(13-5-4-6-15(24)11-13)27(23(30)22(19)29)18-7-2-3-10-26-18/h2-12,20,28H,1H3/b21-19+InChIKey
CRAWBKBWDGABRZ-XUTLUUPISA-NSynonyms
638133-70-7(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(3CHLOROPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(3chlorophenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)methanolate
638133707
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CC(=CC=C4)Cl)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1cccc(nH+)1)(O)
InChI=1SC23H16Cl2N2O4c131179814(1216(17)25)21(28)1920(1354615(24)1113)27(23(30)22(19)29)18723102618h2122028H1H3b2119+
MFCD18248984
ZINC000102882235
ZINC000102882240
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