Vitas-M small molecule compound

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

Catalog ID
STK586950
SMILES COc1cc(OC)ccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)c1ccccc1F

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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 C24H28FNO4 MW 413.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28FNO4/c1-29-16-10-11-18(21(15-16)30-2)22-19-8-5-6-12-24(19,28)13-14-26(22)23(27)17-7-3-4-9-20(17)25/h3-4,7,9-11,15,19,22,28H,5-6,8,12-14H2,1-2H3/t19-,22-,24-/m0/s1
InChIKey
CEJZWDVRJOTLGD-APTRMMRNSA-N
Synonyms
1212100-46-3
((1R4aS8aS)1(24dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)(2fluorophenyl)methanone
((1R4aS8aS)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(2fluorophenyl)methanone
1212100463
COC1=CC(=C(C=C1)C2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4F)O)OC
COc1cc(OC)ccc1(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)C(=O)c1ccccc1F
InChI=1SC24H28FNO4c12916101118(21(1516)302)22198561224(1928)131426(22)23(27)17734920(17)25h34791115192228H5681214H212H3t192224m0s1
MFCD18245810
ZINC000005271717
ZINC05271717
ZINC5271717

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.