Vitas-M small molecule compound
2-{[(E)-{5-chloro-2-[(3-chlorobenzyl)oxy]phenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL384066
SMILES Clc1ccc(c(c1)/C=N/N1C(=O)C2C(C1=O)C1CC2C=C1)OCc1cccc(c1)Cl
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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 C23H18Cl2N2O3 MW 441.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N2O3/c24-17-3-1-2-13(8-17)12-30-19-7-6-18(25)10-16(19)11-26-27-22(28)20-14-4-5-15(9-14)21(20)23(27)29/h1-8,10-11,14-15,20-21H,9,12H2/b26-11+InChIKey
OKRRFLIQSOUKRY-KBKYJPHKSA-NSynonyms
2(((E)(5chloro2((3chlorobenzyl)oxy)phenyl)methylidene)amino)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1C2C=CC1C3C2C(=O)N(C3=O)N=CC4=C(C=CC(=C4)Cl)OCC5=CC(=CC=C5)Cl
Clc1ccc(c(c1)C=NN1C(=O)C2C(C1=O)C1CC2C=C1)OCc1cccc(c1)Cl
InChI=1SC23H18Cl2N2O3c241731213(817)1230197618(25)1016(19)11262722(28)20144515(914)21(20)23(27)29h18101114152021H912H2b2611+
MFCD03713812
ZINC000101021146
ZINC000105246296
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