Vitas-M small molecule compound
1-[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]ethanone
Catalog ID
STL540958
SMILES COc1ccc(cc1)[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 C18H25NO3 MW 303.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25NO3/c1-13(20)19-12-11-18(21)10-4-3-5-16(18)17(19)14-6-8-15(22-2)9-7-14/h6-9,16-17,21H,3-5,10-12H2,1-2H3/t16-,17-,18-/m0/s1InChIKey
JYZNBRPJAXALDY-BZSNNMDCSA-NSynonyms
956272-16-51((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)ethanone
1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)ethanone
1((1R4aS8aS)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)ethanone
11875223
956272165
COc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C
InChI=1SC18H25NO3c113(20)19121118(21)1043516(18)17(19)146815(222)9714h69161721H351012H212H3t161718m0s1
MFCD06764362
ZINC000004061855
ZINC4061855
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