Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(((2-(piperidin-1-yl)ethyl)amino)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562660
SMILES O=C1O[C@H]2[C@@H](C1CNCCN1CCCCC1)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C22H36N2O2 MW 360.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36N2O2/c1-16-7-6-8-22(2)14-20-17(13-19(16)22)18(21(25)26-20)15-23-9-12-24-10-4-3-5-11-24/h13,16-18,20,23H,3-12,14-15H2,1-2H3/t16-,17+,18?,20+,22+/m0/s1InChIKey
VWNJIPQRTGDQTP-LUSYZNBGSA-NSynonyms
956943-97-8(3aR5S8aR9aR)58adimethyl3((2piperidin1ylethylamino)methyl)33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3(((2(piperidin1yl)ethyl)amino)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397846
956943978
InChI=1SC22H36N2O2c11676822(2)142017(1319(16)22)18(21(25)2620)152391224104351124h1316182023H3121415H212H3t1617+18?20+22+m0s1
MFCD32651325
O=C1O(C@H)2(C@@H)(C1CNCCN1CCCCC1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000020113537
ZINC000020113539
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