Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL534540
SMILES COc1cc2CN(CCc2cc1OC)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 C26H35NO4 MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO4/c1-16-6-5-8-26(2)13-24-19(12-21(16)26)20(25(28)31-24)15-27-9-7-17-10-22(29-3)23(30-4)11-18(17)14-27/h10-11,19-21,24H,1,5-9,12-15H2,2-4H3/t19-,20?,21?,24-,26-/m1/s1InChIKey
WTPYXBISXXLCCB-WQXSUGTBSA-NSynonyms
956820-17-0(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16405136
956820170
COc1cc2CN(CCc2cc1OC)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC26H35NO4c11665826(2)132419(1221(16)26)20(25(28)3124)152797171022(293)23(304)1118(17)1427h1011192124H1591215H224H3t1920?21?2426m1s1
ZINC000004088963
ZINC000035363915
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