Vitas-M small molecule compound
N-{2-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}-2-methylpropan-2-aminium
Catalog ID
STL553176
SMILES CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[NH2+]C(C)(C)C
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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 C30H45N2O5 MW 513.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O5/c1-8-34-25-13-12-21(17-26(25)35-9-2)16-24-23-19-28(37-11-4)27(36-10-3)18-22(23)14-15-32(24)29(33)20-31-30(5,6)7/h12-13,17-19,24,31H,8-11,14-16,20H2,1-7H3/p+1InChIKey
OOOIKNRTWWAAAN-UHFFFAOYSA-OSynonyms
~(tert)butyl(2(1((34diethoxyphenyl)methyl)67diethoxy34dihydro1~(H)isoquinolin2yl)2oxoethyl)azanium
5043032
InChI=1SC30H44N2O5c183425131221(1726(25)3592)1624231928(37114)27(36103)1822(23)141532(24)29(33)203130(56)7h121317192431H811141620H217H3p+1
N(2(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)2methylpropan2aminium
TERTBUTYL(2(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)AZANIUM
ZINC000009007541
ZINC000009007542
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