Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL525576
SMILES COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-18-7-6-10-26(2)16-24-19(15-21(18)26)20(25(29)31-24)17-27-11-13-28(14-12-27)22-8-4-5-9-23(22)30-3/h4-5,8-9,19-21,24H,1,6-7,10-17H2,2-3H3/t19-,20?,21+,24-,26-/m1/s1InChIKey
XPFOUNMBEZRCMG-XUXOZMEYSA-NSynonyms
956939-82-5(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((4(2methoxyphenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4(2methoxyphenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16395849
956939825
COc1ccccc1N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
InChI=1SC26H36N2O3c118761026(2)162419(1521(18)26)20(25(29)3124)1727111328(141227)22845923(22)303h4589192124H1671017H223H3t1920?21+2426m1s1
MFCD32649804
ZINC000059408567
ZINC000061991172
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