Vitas-M small molecule compound

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

Catalog ID
STK055361
SMILES O=C(N1CCc2c(C1)cccc2)Cc1ccccc1[N+](=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 C17H16N2O3 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3/c20-17(11-14-6-3-4-8-16(14)19(21)22)18-10-9-13-5-1-2-7-15(13)12-18/h1-8H,9-12H2
InChIKey
NLMHRWJONQQQPP-UHFFFAOYSA-N
Synonyms
64302-74-5
1(34DIHYDRO1HISOQUINOLIN2YL)2(2NITROPHENYL)ETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2(2NITROPHENYL)ETHANONE
64302745
C1CN(CC2=CC=CC=C21)C(=O)CC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H16N2O3c2017(1114634816(14)19(21)22)1810913512715(13)1218h18H912H2
MFCD02859304
O=C(N1CCc2c(C1)cccc2)Cc1ccccc1(N+)(=O)(O)
STK055361
ZINC000000267618
ZINC00267618
ZINC267618

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Available files

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