Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((benzyl(4-methoxybenzyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL548204
SMILES COc1ccc(cc1)CN(CC1C(=O)O[C@H]2[C@@H]1CC1C(=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 C30H37NO3 MW 459.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37NO3/c1-21-8-7-15-30(2)17-28-25(16-27(21)30)26(29(32)34-28)20-31(18-22-9-5-4-6-10-22)19-23-11-13-24(33-3)14-12-23/h4-6,9-14,25-28H,1,7-8,15-20H2,2-3H3/t25-,26?,27?,28-,30-/m1/s1InChIKey
CAUWLWJBCKQXGA-HPLWNKBASA-NSynonyms
308366-09-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((benzyl((4methoxyphenyl)methyl)amino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((benzyl(4methoxybenzyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16395199
308366098
COc1ccc(cc1)CN(CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)Cc1ccccc1
InChI=1SC30H37NO3c121871530(2)172825(1627(21)30)26(29(32)3428)2031(182295461022)1923111324(333)141223h469142528H1781520H223H3t2526?27?2830m1s1
ZINC000012653400
ZINC000035360941
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