Vitas-M small molecule compound

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

Catalog ID
STK002377
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-13-18(21(24)27-11-10-25-2)19(14-6-4-7-15(12-14)26-3)20-16(22-13)8-5-9-17(20)23/h4,6-7,12,19,22H,5,8-11H2,1-3H3
InChIKey
OZCRNIGHFYEONV-UHFFFAOYSA-N
Synonyms

2methoxyethyl4(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OC)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)C(=O)CCC2
InChI=1SC21H25NO5c11318(21(24)271110252)19(1464715(1214)263)2016(2213)85917(20)23h467121922H5811H213H3
MFCD00753137
STK002377
ZINC000002055251
ZINC000002055252

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Available files

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