Vitas-M small molecule compound

1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-phenylpropan-1-one

Catalog ID
STL538274
SMILES COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)CCc1ccccc1)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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-30-20-12-13-23(31-2)21(18-20)25-22-10-6-7-15-26(22,29)16-17-27(25)24(28)14-11-19-8-4-3-5-9-19/h3-5,8-9,12-13,18,22,25,29H,6-7,10-11,14-17H2,1-2H3/t22-,25-,26-/m0/s1
InChIKey
DXQNNXQSCIBPDV-HRNNMHKYSA-N
Synonyms
956630-46-9
1((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3phenylpropan1one
1((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3phenylpropan1one
1((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)3phenylpropan1one
7086241
956630469
COc1ccc(c(c1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)CCc1ccccc1)OC
InChI=1SC26H33NO4c13020121323(312)21(1820)252210671526(2229)161727(25)24(28)1411198435919h3589121318222529H6710111417H212H3t222526m0s1
MFCD06764328
ZINC000004061073
ZINC4061073

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Available files

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