Vitas-M small molecule compound

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

Catalog ID
STK363176
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(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 C22H27NO6 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO6/c1-6-29-22(25)18-12(2)23-14-8-7-9-15(24)20(14)19(18)13-10-16(26-3)21(28-5)17(11-13)27-4/h10-11,19,23H,6-9H2,1-5H3
InChIKey
ONYTYSNCKYLSLX-UHFFFAOYSA-N
Synonyms
299946-98-8
299946988
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CCC2)C
ethyl2methyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl2methyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H27NO6c162922(25)1812(2)231487915(24)20(14)19(18)131016(263)21(285)17(1113)274h10111923H69H215H3
MFCD00717944
ZINC000000626493
ZINC000000626498

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Available files

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