Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(3-methoxyphenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526389
SMILES COc1cccc(c1)N1CCN(CC1)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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-18-6-5-9-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-10-12-28(13-11-27)19-7-4-8-20(14-19)30-3/h4,7-8,14,21-24H,1,5-6,9-13,15-17H2,2-3H3/t21-,22?,23?,24-,26-/m1/s1InChIKey
WLRDUFWIFGLONX-XURSCOLFSA-NSynonyms
956953-26-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(3methoxyphenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(3methoxyphenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16396949
956953267
COc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC26H36N2O3c11865926(2)162421(1523(18)26)22(25(29)3124)1727101228(131127)1974820(1419)303h478142124H1569131517H223H3t2122?23?2426m1s1
ZINC000061992800
ZINC000061992803
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