Vitas-M small molecule compound

[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl](phenyl)methanone

Catalog ID
STL547013
SMILES COc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)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 C23H27NO3 MW 365.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO3/c1-27-19-12-10-17(11-13-19)21-20-9-5-6-14-23(20,26)15-16-24(21)22(25)18-7-3-2-4-8-18/h2-4,7-8,10-13,20-21,26H,5-6,9,14-16H2,1H3/t20-,21-,23-/m0/s1
InChIKey
RTQPKUXSROKHRJ-FUDKSRODSA-N
Synonyms
956340-23-1
((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)phenylmethanone
((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)(phenyl)methanone
((1R4aS8aS)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)(phenyl)methanone
7087955
956340231
COc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1
InChI=1SC23H27NO3c12719121017(111319)21209561423(2026)151624(21)22(25)187324818h24781013202126H5691416H21H3t202123m0s1
MFCD06764497
ZINC000004063942
ZINC4063942

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Available files

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