Vitas-M small molecule compound

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

Catalog ID
STK372609
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-5-6-7-13-30-24(27)21-15(2)25-17-9-8-10-18(26)23(17)22(21)16-11-12-19(28-3)20(14-16)29-4/h11-12,14,22,25H,5-10,13H2,1-4H3
InChIKey
FHCNSKCOWHBVLT-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CCC2)C
InChI=1SC24H31NO5c1567133024(27)2115(2)2517981018(26)23(17)22(21)16111219(283)20(1416)294h1112142225H51013H214H3
MFCD00753280
pentyl4(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000003094433
ZINC000003094434

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Available files

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