Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-(((3,4-dimethoxybenzyl)(3-hydroxypropyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL541956
SMILES OCCCN(CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C)Cc1ccc(c(c1)OC)OC
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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 C27H39NO5 MW 457.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39NO5/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13,20-22,25,29H,1,5-7,10-12,14-17H2,2-4H3/t20-,21?,22+,25-,27-/m1/s1InChIKey
JLMUUZKBHLQEIY-HZKXVJSJSA-NSynonyms
956915-66-5(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methyl(3hydroxypropyl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3(((34dimethoxybenzyl)(3hydroxypropyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16400288
956915665
InChI=1SC27H39NO5c118751027(2)152520(1422(18)27)21(26(30)3325)1728(1161229)16198923(313)24(1319)324h891320222529H15710121417H224H3t2021?22+2527m1s1
MFCD32650016
OCCCN(CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C)Cc1ccc(c(c1)OC)OC
ZINC000008918150
ZINC000012864154
Check stock
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