Vitas-M small molecule compound

2-phenylethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK017450
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)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 C33H32BrNO5 MW 602.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrNO5/c1-20-30(33(37)40-15-14-21-10-6-4-7-11-21)31(24-18-28(38-2)29(39-3)19-25(24)34)32-26(35-20)16-23(17-27(32)36)22-12-8-5-9-13-22/h4-13,18-19,23,31,35H,14-17H2,1-3H3
InChIKey
ZMEQXLUJCKPEBE-UHFFFAOYSA-N
Synonyms

2phenylethyl4(2bromo45dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(2bromo45dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)OCCC5=CC=CC=C5
COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
InChI=1SC33H32BrNO5c12030(33(37)40151421106471121)31(241828(382)29(393)1925(24)34)3226(3520)1623(1727(32)36)22128591322h4131819233135H1417H213H3
MFCD01814423
STK017450
ZINC000100559719
ZINC000100559731

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Available files

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