Vitas-M small molecule compound

1-[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]ethanone

Catalog ID
STL548239
SMILES COc1cc(OC)ccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)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 C19H27NO4 MW 333.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO4/c1-13(21)20-11-10-19(22)9-5-4-6-16(19)18(20)15-8-7-14(23-2)12-17(15)24-3/h7-8,12,16,18,22H,4-6,9-11H2,1-3H3/t16-,18-,19-/m0/s1
InChIKey
HMFSWUSISCSEDQ-WDSOQIARSA-N
Synonyms
956272-10-9
1((1~(R)4~(a)~(S)8~(a)~(S))1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)ethanone
1((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
1((1R4aS8aS)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
11875204
956272109
COc1cc(OC)ccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C
InChI=1SC19H27NO4c113(21)20111019(22)954616(19)18(20)158714(232)1217(15)243h7812161822H46911H213H3t161819m0s1
MFCD06764346
ZINC000004061435
ZINC4061435

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Available files

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