Vitas-M small molecule compound

7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

Catalog ID
STK357195
SMILES COc1ccc(cc1)C1CC(=O)c2c(C1)[nH]c(=O)c(c2)C(=O)O

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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 C17H15NO5 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO5/c1-23-11-4-2-9(3-5-11)10-6-14-12(15(19)7-10)8-13(17(21)22)16(20)18-14/h2-5,8,10H,6-7H2,1H3,(H,18,20)(H,21,22)
InChIKey
CROVLYZKVXXNPT-UHFFFAOYSA-N
Synonyms
945105-24-8
7(4methoxyphenyl)25dioxo125678hexahydroquinoline3carboxylicacid
7(4methoxyphenyl)25dioxo1678tetrahydroquinoline3carboxylicacid
945105248
COC1=CC=C(C=C1)C2CC3=C(C=C(C(=O)N3)C(=O)O)C(=O)C2
COc1ccc(cc1)C1CC(=O)c2c(C1)(nH)c(=O)c(c2)C(=O)O
InChI=1SC17H15NO5c12311429(3511)1061412(15(19)710)813(17(21)22)16(20)1814h25810H67H21H3(H1820)(H2122)
MFCD09785542
ZINC000012391740

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Available files

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