Vitas-M small molecule compound

2-(4-ethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

Catalog ID
STL124860
SMILES CCOc1ccc(cc1)n1cc(C(=O)O)c2c(c1=O)cccc2

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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 C18H15NO4 MW 309.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO4/c1-2-23-13-9-7-12(8-10-13)19-11-16(18(21)22)14-5-3-4-6-15(14)17(19)20/h3-11H,2H2,1H3,(H,21,22)
InChIKey
BFGVOSNAMFKVTR-UHFFFAOYSA-N
Synonyms
1325305-98-3
1325305983
2(4ethoxyphenyl)1oxo12dihydroisoquinoline4carboxylicacid
2(4ethoxyphenyl)1oxoisoquinoline4carboxylicacid
CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)O
InChI=1SC18H15NO4c1223139712(81013)191116(18(21)22)14534615(14)17(19)20h311H2H21H3(H2122)
MFCD03030475
ZINC000067172484
ZINC67172484

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Available files

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