Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL534170
SMILES COc1cc2CN(CCc2cc1OC)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](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/h10-12,16,19-20,24H,5-9,13-15H2,1-4H3/t16-,19+,20?,24+,26+/m0/s1InChIKey
APKCVAIEWYWHDF-GVNBYNASSA-NSynonyms
956817-66-6(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16403826
956817666
COc1cc2CN(CCc2cc1OC)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC26H35NO4c11665826(2)132419(1221(16)26)20(25(28)3124)152797171022(293)23(304)1118(17)1427h101216192024H591315H214H3t1619+20?24+26+m0s1
MFCD32649969
ZINC000006623693
ZINC000012881692
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