Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-((4-methylpiperidin-1-yl)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL534092
SMILES CC1CCN(CC1)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 C21H33NO2 MW 331.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33NO2/c1-14-6-9-22(10-7-14)13-17-16-11-18-15(2)5-4-8-21(18,3)12-19(16)24-20(17)23/h11,14-17,19H,4-10,12-13H2,1-3H3/t15-,16+,17?,19+,21+/m0/s1InChIKey
FESUANMRRQPJBN-BTLTWMERSA-NSynonyms
1212457-92-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))58~(a)dimethyl3((4methylpiperidin1yl)methyl)33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3((4methylpiperidin1yl)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
1212457925
16395866
CC1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC21H33NO2c1146922(10714)131716111815(2)54821(183)1219(16)2420(17)23h11141719H4101213H213H3t1516+17?19+21+m0s1
MFCD32649966
ZINC000004026247
ZINC000012656537
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