Vitas-M small molecule compound

[(1R,4aS,8aS)-1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](phenyl)methanone

Catalog ID
STL529491
SMILES CCN(c1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)c1ccccc1)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 C26H34N2O2 MW 406.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O2/c1-3-27(4-2)22-15-13-20(14-16-22)24-23-12-8-9-17-26(23,30)18-19-28(24)25(29)21-10-6-5-7-11-21/h5-7,10-11,13-16,23-24,30H,3-4,8-9,12,17-19H2,1-2H3/t23-,24-,26-/m0/s1
InChIKey
FGLAMWYJYRUOOO-GNKBHMEESA-N
Synonyms
955976-44-0
((1~(R)4~(a)~(S)8~(a)~(S))1(4(diethylamino)phenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)phenylmethanone
((1R)1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanone
((1R)1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanonehydrochloride
((1R4aS8aS)1(4(diethylamino)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanone
1427688
955976440
CCN(c1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1)CC
CCN(c1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1)CCCl
InChI=1SC26H34N2O2c1327(42)22151320(141622)242312891726(2330)181928(24)25(29)21106571121h5710111316232430H3489121719H212H3t232426m0s1
MFCD06764438
ZINC000061997570
ZINC61997570

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Available files

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