Vitas-M small molecule compound
1-[(1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]ethanone
Catalog ID
STL548041
SMILES CCOc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)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 C19H27NO3 MW 317.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO3/c1-3-23-17-10-5-4-8-15(17)18-16-9-6-7-11-19(16,22)12-13-20(18)14(2)21/h4-5,8,10,16,18,22H,3,6-7,9,11-13H2,1-2H3/t16-,18-,19-/m0/s1InChIKey
CTGDXOZPIXKQGX-WDSOQIARSA-NSynonyms
1((1~(R)4~(a)~(S)8~(a)~(S))1(2ethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)ethanone
1((1R)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
1((1R4aS8aS)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
7088135
CCOc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C
InChI=1SC19H27NO3c1323171054815(17)18169671119(1622)121320(18)14(2)21h45810161822H36791113H212H3t161819m0s1
ZINC000004064336
ZINC4064336
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