Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((benzyl(methyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL547362
SMILES CN(CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C)Cc1ccccc1
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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 C23H31NO2 MW 353.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO2/c1-16-8-7-11-23(2)13-21-18(12-20(16)23)19(22(25)26-21)15-24(3)14-17-9-5-4-6-10-17/h4-6,9-10,18-21H,1,7-8,11-15H2,2-3H3/t18-,19?,20+,21-,23-/m1/s1InChIKey
GZTKHMWCEUGWEE-YWJDPIHNSA-NSynonyms
1212450-55-9(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((benzyl(methyl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((benzyl(methyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212450559
16400604
CN(CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C)Cc1ccccc1
InChI=1SC23H31NO2c116871123(2)132118(1220(16)23)19(22(25)2621)1524(3)141795461017h469101821H1781115H223H3t1819?20+2123m1s1
MFCD32650040
ZINC000004073536
ZINC000012865287
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