Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((benzylamino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL564908
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccccc1)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 C22H29NO2 MW 339.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO2/c1-15-7-6-10-22(2)12-20-17(11-19(15)22)18(21(24)25-20)14-23-13-16-8-4-3-5-9-16/h3-5,8-9,11,15,17-18,20,23H,6-7,10,12-14H2,1-2H3/t15-,17+,18?,20+,22+/m0/s1InChIKey
PZPFREVHDDOFIN-RZTMBEKQSA-NSynonyms
447458-64-2(3aR5S8aR9aR)3((benzylamino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((benzylamino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397405
447458642
InChI=1SC22H29NO2c115761022(2)122017(1119(15)22)18(21(24)2520)142313168435916h3589111517182023H67101214H212H3t1517+18?20+22+m0s1
MFCD32651599
O=C1O(C@H)2(C@@H)(C1CNCc1ccccc1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004029299
ZINC000012660515
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