Vitas-M small molecule compound

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

Catalog ID
STK031354
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C22H21NO5 MW 379.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5/c1-3-27-22(26)18-12(2)23-15-8-6-9-16(24)20(15)19(18)14-11-28-17-10-5-4-7-13(17)21(14)25/h4-5,7,10-11,19,23H,3,6,8-9H2,1-2H3
InChIKey
ZROOABQEMVDFHX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CCC2)C
ethyl2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
ethyl2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H21NO5c132722(26)1812(2)231586916(24)20(15)19(18)141128171054713(17)21(14)25h45710111923H3689H212H3
MFCD01824478
STK031354
ZINC000019720102
ZINC000019720103

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Available files

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