Vitas-M small molecule compound

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

Catalog ID
STK363229
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-5-12-28-22(25)18-13(2)23-15-9-7-10-16(24)20(15)19(18)14-8-6-11-17(26-3)21(14)27-4/h6,8,11,19,23H,5,7,9-10,12H2,1-4H3
InChIKey
IITJUZWHNJCPRI-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)OC)OC)C(=O)CCC2)C
InChI=1SC22H27NO5c15122822(25)1813(2)2315971016(24)20(15)19(18)14861117(263)21(14)274h68111923H5791012H214H3
MFCD00753152
propyl4(23dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(23dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000100434609
ZINC000100434615

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Available files

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