Vitas-M small molecule compound
1-[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-phenylethanone
Catalog ID
STL546371
SMILES COc1cc(OC)ccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)Cc1ccccc1
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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 C25H31NO4 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4/c1-29-19-11-12-20(22(17-19)30-2)24-21-10-6-7-13-25(21,28)14-15-26(24)23(27)16-18-8-4-3-5-9-18/h3-5,8-9,11-12,17,21,24,28H,6-7,10,13-16H2,1-2H3/t21-,24-,25-/m0/s1InChIKey
FCWHBGJEIGOPGV-TUSQITKMSA-NSynonyms
956188-36-61((1~(R)4~(a)~(S)8~(a)~(S))1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2phenylethanone
1((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2phenylethanone
1((1R4aS8aS)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2phenylethanone
7086687
956188366
COc1cc(OC)ccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)Cc1ccccc1
InChI=1SC25H31NO4c12919111220(22(1719)302)242110671325(2128)141526(24)23(27)16188435918h3589111217212428H67101316H212H3t212425m0s1
MFCD06764358
ZINC000004061778
ZINC4061778
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