Vitas-M small molecule compound

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

Catalog ID
STK100291
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)O)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 C22H27NO7 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO7/c1-12-18(22(26)30-9-8-27-2)19(20-14(23-12)6-5-7-15(20)24)13-10-16(28-3)21(25)17(11-13)29-4/h10-11,19,23,25H,5-9H2,1-4H3
InChIKey
JLAKJAKHCGENPU-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(4hydroxy35dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(4hydroxy35dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OCCOC
InChI=1SC22H27NO7c11218(22(26)3098272)19(2014(2312)65715(20)24)131016(283)21(25)17(1113)294h1011192325H59H214H3
MFCD01823529
ZINC000002757751
ZINC000002757752

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Available files

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