Vitas-M small molecule compound

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

Catalog ID
STK072167
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1OC)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/c1-5-11-28-22(25)19-13(2)23-16-7-6-8-17(24)21(16)20(19)15-10-9-14(26-3)12-18(15)27-4/h9-10,12,20,23H,5-8,11H2,1-4H3
InChIKey
VVFAQQJSTJHJFY-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1OC)OC)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)OC)OC)C(=O)CCC2)C
InChI=1SC22H27NO5c15112822(25)1913(2)231676817(24)21(16)20(19)1510914(263)1218(15)274h910122023H5811H214H3
MFCD00771057
propyl4(24dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(24dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK072167
ZINC000002776590
ZINC000002776591

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Available files

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