Vitas-M small molecule compound
2-[(1R,4aS,8aS)-1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL531802
SMILES CCN(c1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)CC(=O)N1CCCC1)CC
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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 C25H39N3O2 MW 413.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H39N3O2/c1-3-26(4-2)21-12-10-20(11-13-21)24-22-9-5-6-14-25(22,30)15-18-28(24)19-23(29)27-16-7-8-17-27/h10-13,22,24,30H,3-9,14-19H2,1-2H3/t22-,24-,25-/m0/s1InChIKey
FJKKGIYVDZUNMO-HVCNVCAESA-NSynonyms
2((1~(R)4~(a)~(S)8~(a)~(S))1(4(diethylamino)phenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1pyrrolidin1ylethanone
2((1R)1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1(pyrrolidin1yl)ethanonehydrochloride
2((1R4aS8aS)1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1(pyrrolidin1yl)ethanone
7070067
CCN(c1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)CC(=O)N1CCCC1)CCCl
InChI=1SC25H39N3O2c1326(42)21121020(111321)24229561425(2230)151828(24)1923(29)2716781727h1013222430H391419H212H3t222425m0s1
MFCD06767595
ZINC000004000359
ZINC4000359
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