Vitas-M small molecule compound
1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]ethanone
Catalog ID
STL548759
SMILES COc1ccc(cc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)C)OC
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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)15-12-14(23-2)7-8-17(15)24-3/h7-8,12,16,18,22H,4-6,9-11H2,1-3H3/t16-,18-,19-/m0/s1InChIKey
VCBOLOIVNQPCAM-WDSOQIARSA-NSynonyms
956239-30-81((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)ethanone
1((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
1((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
11875283
956239308
COc1ccc(cc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C)OC
InChI=1SC19H27NO4c113(21)20111019(22)954616(19)18(20)151214(232)7817(15)243h7812161822H46911H213H3t161819m0s1
MFCD06764437
ZINC000004062685
ZINC4062685
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