Vitas-M small molecule compound
1-(2-bromo-4,5-dimethoxybenzyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-6,7-dimethoxyisoquinolinium
Catalog ID
STK665153
SMILES COc1cc2c(cc1OC)cc[n+](c2Cc1cc(OC)c(cc1Br)OC)CC(=O)c1ccccc1Cl
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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 C28H26BrClNO5 MW 571.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrClNO5/c1-33-25-12-17-9-10-31(16-24(32)19-7-5-6-8-22(19)30)23(20(17)14-27(25)35-3)11-18-13-26(34-2)28(36-4)15-21(18)29/h5-10,12-15H,11,16H2,1-4H3/q+1InChIKey
HFWCUJCCCHLHDE-UHFFFAOYSA-NSynonyms
1(2bromo45dimethoxybenzyl)2(2(2chlorophenyl)2oxoethyl)67dimethoxyisoquinolinium
2(1((2BROMO45DIMETHOXYPHENYL)METHYL)67DIMETHOXYISOQUINOLIN2IUM2YL)1(2CHLOROPHENYL)ETHANONE
COC1=C(C=C2C(=C1)C=C(N+)(=C2CC3=CC(=C(C=C3Br)OC)OC)CC(=O)C4=CC=CC=C4Cl)OC
COc1cc2c(cc1OC)cc(n+)(c2Cc1cc(OC)c(cc1Br)OC)CC(=O)c1ccccc1Cl
InChI=1SC28H26BrClNO5c13325121791031(1624(32)19756822(19)30)23(20(17)1427(25)353)11181326(342)28(364)1521(18)29h5101215H1116H214H3q+1
ZINC000098009084
ZINC98009084
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