Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL552971
SMILES COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1=C(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/c1-18-7-6-10-26(2)16-24-19(15-21(18)26)20(25(29)31-24)17-27-11-13-28(14-12-27)22-8-4-5-9-23(22)30-3/h4-5,8-9,19-20,24H,6-7,10-17H2,1-3H3/t19-,20?,24-,26-/m1/s1InChIKey
WPMSKGJSKVLMAS-CDQKXVQXSA-NSynonyms
447458-22-2(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(2methoxyphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(2methoxyphenyl)piperazin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16397388
447458222
COc1ccccc1N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1=C(C)CCC(C@@)1(C2)C
InChI=1SC26H36N2O3c118761026(2)162419(1521(18)26)20(25(29)3124)1727111328(141227)22845923(22)303h4589192024H671017H213H3t1920?2426m1s1
ZINC000061992889
ZINC000061992890
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