Vitas-M small molecule compound

1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinoline-3-carboxylic acid

Catalog ID
STK731951
SMILES C=CCn1c(cc2c(c1=O)cccc2)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 C13H11NO3 MW 229.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO3/c1-2-7-14-11(13(16)17)8-9-5-3-4-6-10(9)12(14)15/h2-6,8H,1,7H2,(H,16,17)
InChIKey
BGIDGQAFKMVMQZ-UHFFFAOYSA-N
Synonyms
951896-16-5
1oxo2(prop2en1yl)12dihydroisoquinoline3carboxylicacid
1OXO2PROP2ENYL2HYDROISOQUINOLINE3CARBOXYLICACID
1oxo2prop2enylisoquinoline3carboxylicacid
2allyl1oxo12dihydroisoquinoline3carboxylicacid
951896165
C=CCN1C(=CC2=CC=CC=C2C1=O)C(=O)O
InChI=1SC13H11NO3c1271411(13(16)17)89534610(9)12(14)15h268H17H2(H1617)
MFCD09983595
ZINC000011692948
ZINC11692948

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Available files

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