Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL524666
SMILES COc1ccc(cc1)N1CCN(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/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h6-9,21-24H,1,4-5,10-17H2,2-3H3/t21-,22?,23+,24-,26-/m1/s1InChIKey
QFCBTOZSDBUXDI-XFPYIDMSSA-NSynonyms
1212447-13-6(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))3((4(4methoxyphenyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4(4methoxyphenyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212447136
16395646
COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
InChI=1SC26H36N2O3c118541026(2)162421(1523(18)26)22(25(29)3124)1727111328(141227)196820(303)9719h692124H1451017H223H3t2122?23+2426m1s1
MFCD32649791
ZINC000059408467
ZINC000061991152
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