Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((3,4-dimethoxyphenethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526385
SMILES COc1cc(CCNCC2C(=O)O[C@H]3[C@@H]2CC2C(=C)CCC[C@@]2(C3)C)ccc1OC
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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 C25H35NO4 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12,18-20,23,26H,1,5-6,9-11,13-15H2,2-4H3/t18-,19?,20?,23-,25-/m1/s1InChIKey
VYLLNFJEMQLLQV-UKKDBOLMSA-NSynonyms
956953-28-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(34dimethoxyphenyl)ethylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((34dimethoxyphenethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16396976
956953289
COc1cc(CCNCC2C(=O)O(C@H)3(C@@H)2CC2C(=C)CCC(C@@)2(C3)C)ccc1OC
InChI=1SC25H35NO4c116651025(2)142318(1320(16)25)19(24(27)3023)1526119177821(283)22(1217)294h781218202326H1569111315H224H3t1819?20?2325m1s1
ZINC000004028481
ZINC000012659792
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