Vitas-M small molecule compound

(2E)-1-[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one

Catalog ID
STL537782
SMILES CCOc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccccc1

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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 C26H31NO3 MW 405.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO3/c1-2-30-23-14-7-6-12-21(23)25-22-13-8-9-17-26(22,29)18-19-27(25)24(28)16-15-20-10-4-3-5-11-20/h3-7,10-12,14-16,22,25,29H,2,8-9,13,17-19H2,1H3/b16-15+
InChIKey
IAPQJTWDFSUNMC-FOCLMDBBSA-N
Synonyms
1008466-65-6
(~(E))1(1(2ethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3phenylprop2en1one
(2E)1(1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3phenylprop2en1one
(E)1((1R)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3phenylprop2en1one
1008466656
6216625
CCOc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccccc1
InChI=1SC26H31NO3c12302314761221(23)252213891726(2229)181927(25)24(28)161520104351120h3710121416222529H289131719H21H3b1615+
MFCD04146084
ZINC000004082656
ZINC000012875986

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Available files

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