Vitas-M small molecule compound
2-[2-(4-methoxyphenyl)-2-oxoethyl]isoquinolinium
Catalog ID
STL059068
SMILES COc1ccc(cc1)C(=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 C18H16NO2 MW 278.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16NO2/c1-21-17-8-6-15(7-9-17)18(20)13-19-11-10-14-4-2-3-5-16(14)12-19/h2-12H,13H2,1H3/q+1InChIKey
JLVLLGQYEGCIJG-UHFFFAOYSA-NSynonyms
2(2(4methoxyphenyl)2oxoethyl)isoquinolin2iumbromide
2(2(4methoxyphenyl)2oxoethyl)isoquinolinium
2ISOQUINOLIN2IUM2YL1(4METHOXYPHENYL)ETHANONE
COC1=CC=C(C=C1)C(=O)C(N+)2=CC3=CC=CC=C3C=C2
COc1ccc(cc1)C(=O)C(n+)1ccc2c(c1)cccc2
COc1ccc(cc1)C(=O)C(n+)1ccc2c(c1)cccc2(Br)
InChI=1SC18H16NO2c121178615(7917)18(20)1319111014423516(14)1219h212H13H21H3q+1
ZINC000001634288
ZINC01634288
ZINC1634288
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