Vitas-M small molecule compound

methyl 4-[7-(4-methoxyphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate

Catalog ID
STK406817
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=O)CC2c1ccc(cc1)C(=O)OC

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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 C24H23NO5 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO5/c1-29-18-9-7-14(8-10-18)17-11-20-23(21(26)12-17)19(13-22(27)25-20)15-3-5-16(6-4-15)24(28)30-2/h3-10,17,19H,11-13H2,1-2H3,(H,25,27)
InChIKey
ZLRPQCWWQXEKOF-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2CC3=C(C(CC(=O)N3)C4=CC=C(C=C4)C(=O)OC)C(=O)C2
InChI=1SC24H23NO5c129189714(81018)17112023(21(26)1217)19(1322(27)2520)153516(6415)24(28)302h3101719H1113H212H3(H2527)
methyl4(7(4methoxyphenyl)25dioxo12345678octahydroquinolin4yl)benzoate
methyl4(7(4methoxyphenyl)25dioxo134678hexahydroquinolin4yl)benzoate
MFCD07613385
ZINC000006819720
ZINC000006819727

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Available files

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