Vitas-M small molecule compound
1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]ethanone
Catalog ID
STL547506
SMILES COc1ccccc1[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)10-6-5-8-15(18)17(19)14-7-3-4-9-16(14)22-2/h3-4,7,9,15,17,21H,5-6,8,10-12H2,1-2H3/t15-,17-,18-/m0/s1InChIKey
SJMXPJVQCGHRGM-SZMVWBNQSA-NSynonyms
956239-32-01((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)ethanone
1((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)ethanone
1((1R4aS8aS)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)ethanone
11875354
956239320
COc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C
InChI=1SC18H25NO3c113(20)19121118(21)1065815(18)17(19)14734916(14)222h3479151721H5681012H212H3t151718m0s1
MFCD06764481
ZINC000004063578
ZINC4063578
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