Vitas-M small molecule compound
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-(2-oxo-2-phenylethyl)isoquinolinium
Catalog ID
STK057393
SMILES COc1cc2c(cc1OC)cc[n+](c2Cc1ccc(c(c1)OC)OC)CC(=O)c1ccccc1
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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 C28H28NO5 MW 458.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28NO5/c1-31-25-11-10-19(15-26(25)32-2)14-23-22-17-28(34-4)27(33-3)16-21(22)12-13-29(23)18-24(30)20-8-6-5-7-9-20/h5-13,15-17H,14,18H2,1-4H3/q+1InChIKey
XLTCCXQHRKCCTD-UHFFFAOYSA-NSynonyms
1(34dimethoxybenzyl)67dimethoxy2(2oxo2phenylethyl)isoquinolin2iumchloride
1(34DIMETHOXYBENZYL)67DIMETHOXY2(2OXO2PHENYLETHYL)ISOQUINOLINIUM
2(1((34DIMETHOXYPHENYL)METHYL)67DIMETHOXYISOQUINOLIN2IUM2YL)1PHENYLETHANONE
COC1=C(C=C(C=C1)CC2=(N+)(C=CC3=CC(=C(C=C32)OC)OC)CC(=O)C4=CC=CC=C4)OC
COc1cc2c(cc1OC)cc(n+)(c2Cc1ccc(c(c1)OC)OC)CC(=O)c1ccccc1
COc1cc2c(cc1OC)cc(n+)(c2Cc1ccc(c(c1)OC)OC)CC(=O)c1ccccc1(Cl)
InChI=1SC28H28NO5c13125111019(1526(25)322)1423221728(344)27(333)1621(22)121329(23)1824(30)208657920h5131517H1418H214H3q+1
MFCD00315616
STK057393
ZINC000001836163
ZINC01836163
ZINC1836163
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