Vitas-M small molecule compound

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

Catalog ID
STK086933
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C27H23NO5 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO5/c1-16-23(27(31)33-14-17-8-3-2-4-9-17)24(25-20(28-16)11-7-12-21(25)29)19-15-32-22-13-6-5-10-18(22)26(19)30/h2-6,8-10,13,15,24,28H,7,11-12,14H2,1H3
InChIKey
PBMIJXGCIDSUHA-UHFFFAOYSA-N
Synonyms
benzyl2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OCC5=CC=CC=C5
O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CCC2)OCc1ccccc1
Registry IDs
MFCD02188579
ZINC000000909206
ZINC000000909210

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Available files

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