Vitas-M small molecule compound

2-(3,5-dimethylphenoxy)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]ethanone

Catalog ID
STL345213
SMILES COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)COc1cc(C)cc(c1)C

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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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-18-14-19(2)16-20(15-18)31-17-24(28)27-13-12-26(29)11-7-6-9-22(26)25(27)21-8-4-5-10-23(21)30-3/h4-5,8,10,14-16,22,25,29H,6-7,9,11-13,17H2,1-3H3
InChIKey
KXRIDRCWFZINNE-UHFFFAOYSA-N
Synonyms
1008674-24-5
1(4ahydroxy1(2methoxyphenyl)13456788aoctahydroisoquinolin2yl)2(35dimethylphenoxy)ethanone
1008674245
2(35dimethylphenoxy)1(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)ethanone
CC1=CC(=CC(=C1)OCC(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4OC)O)C
InChI=1SC26H33NO4c1181419(2)1620(1518)311724(28)27131226(29)1176922(26)25(27)218451023(21)303h458101416222529H679111317H213H3
MFCD04185712
ZINC000013777790
ZINC000245310989

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Available files

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