Vitas-M small molecule compound

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

Catalog ID
STK045307
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)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/c17-14-6-5-12(9-15(14)19(21)22)16(20)18-8-7-11-3-1-2-4-13(11)10-18/h1-6,9H,7-8,10H2
InChIKey
XYFDZFKZAKZZKV-UHFFFAOYSA-N
Synonyms
341021-38-3
(4CHLORO3NITROPHENYL)(34DIHYDRO1HISOQUINOLIN2YL)METHANONE
(4CHLORO3NITROPHENYL)(34DIHYDROISOQUINOLIN2(1H)YL)METHANONE
341021383
C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC16H13ClN2O3c17146512(915(14)19(21)22)16(20)188711312413(11)1018h169H7810H2
MFCD00784140
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCc2c(C1)cccc2
STK045307
ZINC000000258601
ZINC00258601
ZINC258601

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Available files

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