Vitas-M small molecule compound

methyl 4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL176458
SMILES COC(=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 C25H23BrClNO4 MW 516.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClNO4/c1-14-22(25(30)31-2)23(24-19(28-14)4-3-5-20(24)29)18-12-16(26)8-11-21(18)32-13-15-6-9-17(27)10-7-15/h6-12,23,28H,3-5,13H2,1-2H3
InChIKey
KXEUNBOODOWRSH-UHFFFAOYSA-N
Synonyms
754228-72-3
754228723
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl)C(=O)OC
InChI=1SC25H23BrClNO4c11422(25(30)312)23(2419(2814)43520(24)29)181216(26)81121(18)3213156917(27)10715h6122328H3513H212H3
methyl4(5bromo2((4chlorobenzyl)oxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5bromo2((4chlorophenyl)methoxy)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03883554
ZINC000002743647
ZINC000002743648

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Available files

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