Vitas-M small molecule compound

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

Catalog ID
STK402500
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)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 C20H23NO5 MW 357.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5/c1-4-26-20(24)17-11(2)21-13-6-5-7-14(22)19(13)18(17)12-8-9-16(25-3)15(23)10-12/h8-10,18,21,23H,4-7H2,1-3H3
InChIKey
MGNHMKRIUQQJCE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)O)C(=O)CCC2)C
ethyl4(3hydroxy4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3hydroxy4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H23NO5c142620(24)1711(2)211365714(22)19(13)18(17)128916(253)15(23)1012h810182123H47H213H3
MFCD01656030
ZINC000018056224
ZINC000100084607

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Available files

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