Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((ethyl((S)-2-hydroxy-2-phenylpropyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one hydrochloride
Catalog ID
STL565268
SMILES CCN(C[C@](c1ccccc1)(O)C)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C
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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 C26H37NO3 MW 411.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO3/c1-5-27(17-26(4,29)19-11-7-6-8-12-19)16-21-20-14-22-18(2)10-9-13-25(22,3)15-23(20)30-24(21)28/h6-8,11-12,20-23,29H,2,5,9-10,13-17H2,1,3-4H3/t20-,21?,22?,23-,25-,26-/m1/s1InChIKey
HTXWDJQLFQMPGP-JBNSMDASSA-NSynonyms
(3aR8aR9aR)3((ethyl((2S)2hydroxy2phenylpropyl)amino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((ethyl((S)2hydroxy2phenylpropyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)onehydrochloride
16396927
CCN(C(C@)(c1ccccc1)(O)C)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)CCl
InChI=1SC26H37NO3c1527(1726(429)19117681219)162120142218(2)1091325(223)1523(20)3024(21)28h681112202329H259101317H2134H3t2021?22?232526m1s1
MFCD32651246
ZINC000004028404
ZINC000252460731
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