Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2,2-dimethoxyethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526432
SMILES COC(CNCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)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 C19H31NO4 MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO4/c1-12-6-5-7-19(2)9-16-13(8-15(12)19)14(18(21)24-16)10-20-11-17(22-3)23-4/h13-17,20H,1,5-11H2,2-4H3/t13-,14?,15?,16-,19-/m1/s1InChIKey
QLQWTPOKMDDMPR-IWJNZZSASA-NSynonyms
957019-11-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((22dimethoxyethylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((22dimethoxyethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397024
957019113
COC(CNCC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C)OC
InChI=1SC19H31NO4c11265719(2)91613(815(12)19)14(18(21)2416)10201117(223)234h131720H1511H224H3t1314?15?1619m1s1
ZINC000004028558
ZINC000012659874
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