Vitas-M small molecule compound

pentyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK097418
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-3-4-5-12-27-22(26)19-14(2)23-17-10-7-11-18(25)21(17)20(19)15-8-6-9-16(24)13-15/h6,8-9,13,20,23-24H,3-5,7,10-12H2,1-2H3
InChIKey
GZSIETKQGOXSNR-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)O)C(=O)CCC2
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CCC2)C
InChI=1SC22H27NO4c1345122722(26)1914(2)23171071118(25)21(17)20(19)1586916(24)1315h68913202324H3571012H212H3
MFCD00753118
pentyl4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK097418
ZINC000002055234
ZINC000017730418

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Available files

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