Vitas-M small molecule compound

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

Catalog ID
STK363279
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1OC)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 C25H33NO6 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO6/c1-6-7-8-14-32-25(28)20-15(2)26-17-10-9-11-18(27)22(17)21(20)16-12-13-19(29-3)24(31-5)23(16)30-4/h12-13,21,26H,6-11,14H2,1-5H3
InChIKey
QQVYUFCEZKUJJJ-UHFFFAOYSA-N
Synonyms
5476-20-0
5476200
CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CCC2)C
InChI=1SC25H33NO6c1678143225(28)2015(2)26171091118(27)22(17)21(20)16121319(293)24(315)23(16)304h12132126H61114H215H3
MFCD00753150
pentyl2methyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
pentyl2methyl5oxo4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
ZINC000002055257
ZINC000002055258

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Available files

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