Vitas-M small molecule compound

benzyl 4-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363670
SMILES O=C(C1=C(C)NC2=C(C1c1ccco1)C(=O)CCC2)OCc1ccccc1

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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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-14-19(22(25)27-13-15-7-3-2-4-8-15)21(18-11-6-12-26-18)20-16(23-14)9-5-10-17(20)24/h2-4,6-8,11-12,21,23H,5,9-10,13H2,1H3
InChIKey
ZLDPZPCLUAMEJE-UHFFFAOYSA-N
Synonyms

benzyl4(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC22H21NO4c11419(22(25)2713157324815)21(18116122618)2016(2314)951017(20)24h246811122123H591013H21H3
MFCD00771230
ZINC000019790647
ZINC000019790648

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Available files

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