Vitas-M small molecule compound

2-[2-(4-methylphenyl)-2-oxoethyl]isoquinolinium

Catalog ID
STL146983
SMILES Cc1ccc(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 C18H16NO MW 262.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16NO/c1-14-6-8-16(9-7-14)18(20)13-19-11-10-15-4-2-3-5-17(15)12-19/h2-12H,13H2,1H3/q+1
InChIKey
QEMYRNJYIWRGLX-UHFFFAOYSA-N
Synonyms

2(2(4methylphenyl)2oxoethyl)isoquinolinium
2(2oxo2(ptolyl)ethyl)isoquinolin2iumbromide
2(2OXO2PTOLYLETHYL)ISOQUINOLINIUM
2ISOQUINOLIN2IUM2YL1(4METHYLPHENYL)ETHANONE
CC1=CC=C(C=C1)C(=O)C(N+)2=CC3=CC=CC=C3C=C2
Cc1ccc(cc1)C(=O)C(n+)1ccc2c(c1)cccc2
Cc1ccc(cc1)C(=O)C(n+)1ccc2c(c1)cccc2(Br)
InChI=1SC18H16NOc1146816(9714)18(20)1319111015423517(15)1219h212H13H21H3q+1
MFCD00779098
ZINC000002274892
ZINC02274892
ZINC2274892

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Available files

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