Vitas-M small molecule compound
2-(2-oxo-2-phenylethyl)isoquinolinium
Catalog ID
STL147028
SMILES O=C(c1ccccc1)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 C17H14NO MW 248.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14NO/c19-17(15-7-2-1-3-8-15)13-18-11-10-14-6-4-5-9-16(14)12-18/h1-12H,13H2/q+1InChIKey
LIAJGECMVWAMNA-UHFFFAOYSA-NSynonyms
2(2ISOQUINOLYL)1PHENYLETHAN1ONE
2(2oxo2phenylethyl)isoquinolinium
2ISOQUINOLIN2IUM2YL1PHENYLETHANONE
2PHENACYLISOQUINOLINIUM
C1=CC=C(C=C1)C(=O)C(N+)2=CC3=CC=CC=C3C=C2
InChI=1SC17H14NOc1917(157213815)1318111014645916(14)1218h112H13H2q+1
MFCD00652510
O=C(c1ccccc1)C(n+)1ccc2c(c1)cccc2
ZINC000001634285
ZINC01634285
ZINC1634285
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