Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((1-(2-hydroxyethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL532835
SMILES OCCC1N(CCc2c1cc(OC)c(c2)OC)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)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 C28H39NO5 MW 469.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO5/c1-17-6-5-9-28(2)15-26-20(13-22(17)28)21(27(31)34-26)16-29-10-7-18-12-24(32-3)25(33-4)14-19(18)23(29)8-11-30/h12,14,20-23,26,30H,1,5-11,13,15-16H2,2-4H3/t20-,21?,22?,23?,26-,28-/m1/s1InChIKey
QAVKKTGTMMWWSF-NRZVUIMBSA-NSynonyms
1212483-48-1(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((1(2hydroxyethyl)67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((1(2hydroxyethyl)67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212483481
16404168
InChI=1SC28H39NO5c11765928(2)152620(1322(17)28)21(27(31)3426)1629107181224(323)25(334)1419(18)23(29)81130h121420232630H1511131516H224H3t2021?22?23?2628m1s1
OCCC1N(CCc2c1cc(OC)c(c2)OC)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
ZINC000008790366
ZINC000252694789
Check stock
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