Vitas-M small molecule compound

3,4-dihydroisoquinolin-2(1H)-yl(2-nitrophenyl)methanone

Catalog ID
STK079009
SMILES [O-][N+](=O)c1ccccc1C(=O)N1CCc2c(C1)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 C16H14N2O3 MW 282.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3/c19-16(14-7-3-4-8-15(14)18(20)21)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2
InChIKey
SVTYDBNRWQKWMI-UHFFFAOYSA-N
Synonyms
311795-89-8
(O)(N+)(=O)c1ccccc1C(=O)N1CCc2c(C1)cccc2
311795898
34DIHYDRO1HISOQUINOLIN2YL(2NITROPHENYL)METHANONE
34DIHYDROISOQUINOLIN2(1H)YL(2NITROPHENYL)METHANONE
C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC16H14N2O3c1916(14734815(14)18(20)21)1710912512613(12)1117h18H911H2
MFCD00783904
STK079009
ZINC000000064364
ZINC00064364
ZINC64364

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Available files

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