Vitas-M small molecule compound

1-{2-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}-1-methylpiperidinium

Catalog ID
STL553155
SMILES CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[N+]1(C)CCCCC1

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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 C32H47N2O5 MW 539.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H47N2O5/c1-6-36-28-14-13-24(20-29(28)37-7-2)19-27-26-22-31(39-9-4)30(38-8-3)21-25(26)15-16-33(27)32(35)23-34(5)17-11-10-12-18-34/h13-14,20-22,27H,6-12,15-19,23H2,1-5H3/q+1
InChIKey
QJBGSJAOQRQHMG-UHFFFAOYSA-N
Synonyms

1(1((34diethoxyphenyl)methyl)67diethoxy34dihydro1~(H)isoquinolin2yl)2(1methylpiperidin1ium1yl)ethanone
1(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)2(1METHYLPIPERIDIN1IUM1YL)ETHANONE
1(2(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)1methylpiperidin1iumiodide
1(2(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)1methylpiperidinium
3756757
CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C(N+)1(C)CCCCC1(I)
InChI=1SC32H47N2O5c163628141324(2029(28)3772)1927262231(3994)30(3883)2125(26)151633(27)32(35)2334(5)171110121834h1314202227H612151923H215H3q+1
ZINC000009033705
ZINC000009033707

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.