Vitas-M small molecule compound
2-[2-(3-nitrophenyl)-2-oxoethyl]isoquinolinium
Catalog ID
STL043214
SMILES O=C(c1cccc(c1)[N+](=O)[O-])C[n+]1ccc2c(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 C17H13N2O3 MW 293.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N2O3/c20-17(14-6-3-7-16(10-14)19(21)22)12-18-9-8-13-4-1-2-5-15(13)11-18/h1-11H,12H2/q+1InChIKey
JQTAZHQUTKUVMU-UHFFFAOYSA-NSynonyms
2(2(3nitrophenyl)2oxoethyl)isoquinolin2iumbromide
2(2(3nitrophenyl)2oxoethyl)isoquinolinium
2ISOQUINOLIN2IUM2YL1(3NITROPHENYL)ETHANONE
C1=CC=C2C=(N+)(C=CC2=C1)CC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC17H13N2O3c2017(1463716(1014)19(21)22)12189813412515(13)1118h111H12H2q+1
O=C(c1cccc(c1)(N+)(=O)(O))C(n+)1ccc2c(c1)cccc2
O=C(c1cccc(c1)(N+)(=O)(O))C(n+)1ccc2c(c1)cccc2(Br)
ZINC000001596950
ZINC01596950
ZINC1596950
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