Vitas-M small molecule compound

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

Catalog ID
STK363730
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)OC

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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 C35H37NO5 MW 551.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37NO5/c1-4-5-19-40-35(38)32-23(2)36-29-20-26(25-15-17-27(39-3)18-16-25)21-30(37)34(29)33(32)28-13-9-10-14-31(28)41-22-24-11-7-6-8-12-24/h6-18,26,33,36H,4-5,19-22H2,1-3H3
InChIKey
LVIKTNZIOJIHFG-UHFFFAOYSA-N
Synonyms
butyl4(2(benzyloxy)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl7(4methoxyphenyl)2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C
Registry IDs
MFCD01571942
ZINC000100077344
ZINC000100077354

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Available files

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