Vitas-M small molecule compound
ethyl 4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176518
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OCc1cccc(c1)F)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 C26H25BrFNO4 MW 514.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrFNO4/c1-3-32-26(31)23-15(2)29-20-8-5-9-21(30)25(20)24(23)19-13-17(27)10-11-22(19)33-14-16-6-4-7-18(28)12-16/h4,6-7,10-13,24,29H,3,5,8-9,14H2,1-2H3InChIKey
UBVFIXUGWUUMJD-UHFFFAOYSA-NSynonyms
745040-21-5745040215
CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)CCC2)C
ethyl4(5bromo2((3fluorobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5bromo2((3fluorophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H25BrFNO4c133226(31)2315(2)292085921(30)25(20)24(23)191317(27)101122(19)33141664718(28)1216h46710132429H358914H212H3
MFCD03883571
ZINC000002747702
ZINC000002747703
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