Vitas-M small molecule compound

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

Catalog ID
STK071809
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=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 C16H13ClN2O3 MW 316.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O3/c17-13-5-6-14(15(9-13)19(21)22)16(20)18-8-7-11-3-1-2-4-12(11)10-18/h1-6,9H,7-8,10H2
InChIKey
REHQYOLBMZATFI-UHFFFAOYSA-N
Synonyms
333346-59-1
(4CHLORO2NITROPHENYL)(34DIHYDRO1HISOQUINOLIN2YL)METHANONE
(4CHLORO2NITROPHENYL)(34DIHYDROISOQUINOLIN2(1H)YL)METHANONE
333346591
C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)N1CCc2c(C1)cccc2
InChI=1SC16H13ClN2O3c17135614(15(913)19(21)22)16(20)188711312412(11)1018h169H7810H2
MFCD01215368
STK071809
ZINC000000265788
ZINC00265788
ZINC265788

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Available files

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