Vitas-M small molecule compound

butan-2-yl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK055177
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)Cl)C

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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 C34H34ClNO4 MW 556.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClNO4/c1-4-21(2)40-34(38)31-22(3)36-28-18-25(24-14-16-26(35)17-15-24)19-29(37)33(28)32(31)27-12-8-9-13-30(27)39-20-23-10-6-5-7-11-23/h5-17,21,25,32,36H,4,18-20H2,1-3H3
InChIKey
ALIALAMSHHENJN-UHFFFAOYSA-N
Synonyms
318235-51-7
318235517
butan2yl4(2(benzyloxy)phenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)Cl)C
InChI=1SC34H34ClNO4c1421(2)4034(38)3122(3)36281825(24141626(35)171524)1929(37)33(28)32(31)2712891330(27)392023106571123h51721253236H41820H213H3
MFCD01873713
STK055177
ZINC000100560234
ZINC000239274610

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.