Vitas-M small molecule compound
(3R,3aS,5aS,9bS)-3-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-5a,9-dimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Catalog ID
STL566090
SMILES COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)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 C26H32N2O4 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O4/c1-17-21(29)9-11-26(2)10-8-18-19(25(30)32-24(18)23(17)26)16-27-12-14-28(15-13-27)20-6-4-5-7-22(20)31-3/h4-7,9,11,18-19,24H,8,10,12-16H2,1-3H3/t18-,19?,24-,26-/m0/s1InChIKey
ZPFCKLJVWGPBDI-KODZBARNSA-NSynonyms
956932-62-0(3aS5aS9bS)3((4(2methoxyphenyl)piperazin1yl)methyl)5a9dimethyl3a459btetrahydro3Hbenzo(g)(1)benzofuran28dione
(3R3aS5aS9bS)3((4(2methoxyphenyl)piperazin1yl)methyl)5a9dimethyl3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
16396358
956932620
COc1ccccc1N1CCN(CC1)CC1C(=O)O(C@H)2(C@H)1CC(C@@)1(C2=C(C)C(=O)C=C1)C
InChI=1SC26H32N2O4c11721(29)91126(2)1081819(25(30)3224(18)23(17)26)1627121428(151327)20645722(20)313h47911181924H8101216H213H3t1819?2426m0s1
ZINC000059408813
ZINC000061991195
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