Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-ethylpiperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526425
SMILES CCN1CCN(CC1)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 C21H34N2O2 MW 346.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O2/c1-4-22-8-10-23(11-9-22)14-17-16-12-18-15(2)6-5-7-21(18,3)13-19(16)25-20(17)24/h16-19H,2,4-14H2,1,3H3/t16-,17?,18?,19-,21-/m1/s1InChIKey
IRYDAUQTHJLBSW-UCMFBROFSA-NSynonyms
956975-90-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4ethylpiperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4ethylpiperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397027
956975909
CCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC21H34N2O2c142281023(11922)141716121815(2)65721(183)1319(16)2520(17)24h1619H2414H213H3t1617?18?1921m1s1
ZINC000020112143
ZINC000020112149
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