Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-3-((4-methylpiperidin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL525891
SMILES CC1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=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/h14,16-19H,2,4-13H2,1,3H3/t16-,17?,18+,19-,21-/m1/s1InChIKey
BOMYGTQQWNDLEK-XNACDDMESA-NSynonyms
(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((4methylpiperidin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)8amethyl5methylene3((4methylpiperidin1yl)methyl)decahydronaphtho(23b)furan2(3H)one
1212468171
16396127
CC1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
InChI=1SC21H33NO2c1146922(10714)131716111815(2)54821(183)1219(16)2420(17)23h141619H2413H213H3t1617?18+1921m1s1
MFCD32649807
ZINC000004026717
ZINC000012657561
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