Vitas-M small molecule compound
2-[2-(4-bromophenyl)-2-oxoethyl]isoquinolinium
Catalog ID
STL059115
SMILES Brc1ccc(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 C17H13BrNO MW 327.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrNO/c18-16-7-5-14(6-8-16)17(20)12-19-10-9-13-3-1-2-4-15(13)11-19/h1-11H,12H2/q+1InChIKey
BRKCDUQPBMQMJU-UHFFFAOYSA-NSynonyms
1(4BROMOPHENYL)2(2ISOQUINOLYL)ETHAN1ONE
1(4BROMOPHENYL)2ISOQUINOLIN2IUM2YLETHANONE
2(2(4bromophenyl)2oxoethyl)isoquinolinium
Brc1ccc(cc1)C(=O)C(n+)1ccc2c(c1)cccc2
C1=CC=C2C=(N+)(C=CC2=C1)CC(=O)C3=CC=C(C=C3)Br
InChI=1SC17H13BrNOc18167514(6816)17(20)121910913312415(13)1119h111H12H2q+1
ZINC000001564605
ZINC01564605
ZINC1564605
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