Vitas-M small molecule compound
ethyl 4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176460
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1ccc(cc1)Cl)C(=O)CCC2
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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 C26H25BrClNO4 MW 530.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO4/c1-3-32-26(31)23-15(2)29-20-5-4-6-21(30)25(20)24(23)19-13-17(27)9-12-22(19)33-14-16-7-10-18(28)11-8-16/h7-13,24,29H,3-6,14H2,1-2H3InChIKey
WFFMAQNGJYKAFE-UHFFFAOYSA-NSynonyms
723313-90-4723313904
CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl)C(=O)CCC2)C
ethyl4(5bromo2((4chlorobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5bromo2((4chlorophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H25BrClNO4c133226(31)2315(2)292054621(30)25(20)24(23)191317(27)91222(19)33141671018(28)11816h7132429H3614H212H3
MFCD03883556
ZINC000002751936
ZINC000002751937
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