Vitas-M small molecule compound
2-chloro-1-[1-(nitromethyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Catalog ID
STK377674
SMILES ClCC(=O)N1CCc2c(C1C[N+](=O)[O-])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 C12H13ClN2O3 MW 268.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN2O3/c13-7-12(16)14-6-5-9-3-1-2-4-10(9)11(14)8-15(17)18/h1-4,11H,5-8H2InChIKey
LLJKVJWAIGLKHY-UHFFFAOYSA-NSynonyms
2CHLORO1(1(NITROMETHYL)34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
2chloro1(1(nitromethyl)34dihydroisoquinolin2(1H)yl)ethanone
C1CN(C(C2=CC=CC=C21)C(N+)(=O)(O))C(=O)CCl
ClCC(=O)N1CCc2c(C1C(N+)(=O)(O))cccc2
InChI=1SC12H13ClN2O3c13712(16)14659312410(9)11(14)815(17)18h1411H58H2
MFCD00983174
ZINC000004196485
ZINC000004196486
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