Vitas-M small molecule compound

1-[(1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]propan-1-one

Catalog ID
STL548891
SMILES CCOc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)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 C20H29NO3 MW 331.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO3/c1-3-18(22)21-14-13-20(23)12-8-7-10-16(20)19(21)15-9-5-6-11-17(15)24-4-2/h5-6,9,11,16,19,23H,3-4,7-8,10,12-14H2,1-2H3/t16-,19-,20-/m0/s1
InChIKey
NAPOAPGKVCUOEQ-VDGAXYAQSA-N
Synonyms

1((1~(R)4~(a)~(S)8~(a)~(S))1(2ethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)propan1one
1((1R)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
1((1R4aS8aS)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
11875716
CCOc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)CC
InChI=1SC20H29NO3c1318(22)21141320(23)12871016(20)19(21)159561117(15)2442h56911161923H3478101214H212H3t161920m0s1
ZINC000004073495
ZINC4073495

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Available files

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