Vitas-M small molecule compound

propyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372626
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-4-12-28-22(26)18-13(2)23-16-6-5-7-17(24)20(16)19(18)14-8-10-15(11-9-14)21(25)27-3/h8-11,19,23H,4-7,12H2,1-3H3
InChIKey
PEOAJKCOESRKOU-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CCC2)C
InChI=1SC22H25NO5c14122822(26)1813(2)231665717(24)20(16)19(18)1481015(11914)21(25)273h8111923H4712H213H3
MFCD00753337
propyl4(4(methoxycarbonyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4methoxycarbonylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000003094443
ZINC000003094444

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Available files

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