Vitas-M small molecule compound

2-phenylethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402483
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1

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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 C32H29BrClNO5 MW 622.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrClNO5/c1-18-28(32(38)40-13-12-19-6-4-3-5-7-19)29(22-14-24(33)31(37)27(17-22)39-2)30-25(35-18)15-21(16-26(30)36)20-8-10-23(34)11-9-20/h3-11,14,17,21,29,35,37H,12-13,15-16H2,1-2H3
InChIKey
BEIFESRXCUTSIZ-UHFFFAOYSA-N
Synonyms

2phenylethyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OCCC5=CC=CC=C5
InChI=1SC32H29BrClNO5c11828(32(38)401312196435719)29(221424(33)31(37)27(1722)392)3025(3518)1521(1626(30)36)2081023(34)11920h311141721293537H12131516H212H3
MFCD01590162
ZINC000100553571
ZINC000100553581

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Available files

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