Vitas-M small molecule compound

2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Catalog ID
STK508792
SMILES O=C1CC(Cc2c1cc(C(=O)O)c(=O)[nH]2)c1ccccc1

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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 C16H13NO4 MW 283.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO4/c18-14-7-10(9-4-2-1-3-5-9)6-13-11(14)8-12(16(20)21)15(19)17-13/h1-5,8,10H,6-7H2,(H,17,19)(H,20,21)
InChIKey
YPMYRRHALDQQNA-UHFFFAOYSA-N
Synonyms
106551-78-4
106551784
25dioxo7phenyl125678hexahydroquinoline3carboxylicacid
25dioxo7phenyl1678tetrahydroquinoline3carboxylicacid
C1C(CC(=O)C2=C1NC(=O)C(=C2)C(=O)O)C3=CC=CC=C3
InChI=1SC16H13NO4c1814710(9421359)61311(14)812(16(20)21)15(19)1713h15810H67H2(H1719)(H2021)
MFCD09439076
O=C1CC(Cc2c1cc(C(=O)O)c(=O)(nH)2)c1ccccc1
ZINC000013639005
ZINC000013639008

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Available files

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