Vitas-M small molecule compound

cyclopentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK085623
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CCC2)OC1CCCC1

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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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-14-21(25(29)31-15-7-2-3-8-15)22(23-18(26-14)10-6-11-19(23)27)17-13-30-20-12-5-4-9-16(20)24(17)28/h4-5,9,12-13,15,22,26H,2-3,6-8,10-11H2,1H3
InChIKey
AZAXMERSNJHICW-UHFFFAOYSA-N
Synonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCC5
cyclopentyl2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CCC2)OC1CCCC1
Registry IDs
MFCD01825074
ZINC000000805494
ZINC000000805496

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Available files

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