Vitas-M small molecule compound
1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylpropan-1-one
Catalog ID
STL563115
SMILES COc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)CCc1ccccc1
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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 C25H31NO3 MW 393.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3/c1-29-22-13-6-5-11-20(22)24-21-12-7-8-16-25(21,28)17-18-26(24)23(27)15-14-19-9-3-2-4-10-19/h2-6,9-11,13,21,24,28H,7-8,12,14-18H2,1H3/t21-,24-,25-/m0/s1InChIKey
JNKGACXEIDEDAG-TUSQITKMSA-NSynonyms
956188-54-81((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3phenylpropan1one
1((1R4aS8aS)4ahydroxy1(2methoxyphenyl)13456788aoctahydroisoquinolin2yl)3phenylpropan1one
1((1R4aS8aS)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3phenylpropan1one
7087844
956188548
COc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)CCc1ccccc1
InChI=1SC25H31NO3c1292213651120(22)242112781625(2128)171826(24)23(27)15141993241019h2691113212428H78121418H21H3t212425m0s1
MFCD32651399
ZINC000004063573
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