Vitas-M small molecule compound
1-[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]propan-1-one
Catalog ID
STL547086
SMILES CCC(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccc(cc1)OC)CCCC2)O
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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/c1-3-17(21)20-13-12-19(22)11-5-4-6-16(19)18(20)14-7-9-15(23-2)10-8-14/h7-10,16,18,22H,3-6,11-13H2,1-2H3/t16-,18-,19-/m0/s1InChIKey
QQRYQGYWFJBEFE-WDSOQIARSA-NSynonyms
956270-37-41((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)propan1one
1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)propan1one
1((1R4aS8aS)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)propan1one
11875634
956270374
CCC(=O)N1CCC2(C((C@@H)1c1ccc(cc1)OC)CCCC2)O
InChI=1SC19H27NO3c1317(21)20131219(22)1154616(19)18(20)147915(232)10814h710161822H361113H212H3t161819m0s1
MFCD05671043
ZINC000004073221
ZINC4073221
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