Vitas-M small molecule compound

1-oxo-1,2-dihydroisoquinolin-5-yl benzoate

Catalog ID
STK525250
SMILES O=C(c1ccccc1)Oc1cccc2c1cc[nH]c2=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 C16H11NO3 MW 265.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO3/c18-15-13-7-4-8-14(12(13)9-10-17-15)20-16(19)11-5-2-1-3-6-11/h1-10H,(H,17,18)
InChIKey
FFWUPFYTTMMSTH-UHFFFAOYSA-N
Synonyms
370872-09-6
(1OXIDANYLIDENE2HISOQUINOLIN5YL)BENZOATE
(1OXO2HISOQUINOLIN5YL)BENZOATE
1(2H)ISOQUINOLINONE5(BENZOYLOXY)
1oxo12dihydroisoquinolin5ylbenzoate
1OXO2HISOQUINOLIN5YLBENZOATE
370872096
5(BENZOYLOXY)1(2H)ISOQUINOLINONE
5BENZOYLOXY1(2H)ISOQUINOLINONE
5BENZOYLOXY34DIHYDROISOQUINOLINON1(2H)ONE
BENZOICACID(1KETO2HISOQUINOLIN5YL)ESTER
BENZOICACID(1OXO2HISOQUINOLIN5YL)ESTER
BENZOICACID1HYDROXYISOQUINOLIN5YLESTER
C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C=CNC3=O
InChI=1SC16H11NO3c18151374814(12(13)9101715)2016(19)115213611h110H(H1718)
MFCD01942132
O=C(c1ccccc1)Oc1cccc2c1cc(nH)c2=O
ZINC000008671637
ZINC08671637
ZINC8671637

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Available files

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