Vitas-M small molecule compound
(3R,3aS,5aS,9bS)-5a,9-dimethyl-3-((4-methylpiperazin-1-yl)methyl)-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Catalog ID
STL566150
SMILES CN1CCN(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 C20H28N2O3 MW 344.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O3/c1-13-16(23)5-7-20(2)6-4-14-15(19(24)25-18(14)17(13)20)12-22-10-8-21(3)9-11-22/h5,7,14-15,18H,4,6,8-12H2,1-3H3/t14-,15?,18-,20-/m0/s1InChIKey
DCDLQZBEQQIOSL-HYJYAKSQSA-NSynonyms
956932-61-9(3aS5aS9bS)5a9dimethyl3((4methylpiperazin1yl)methyl)3a459btetrahydro3Hbenzo(g)(1)benzofuran28dione
(3R3aS5aS9bS)5a9dimethyl3((4methylpiperazin1yl)methyl)3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
16396357
956932619
CN1CCN(CC1)CC1C(=O)O(C@H)2(C@H)1CC(C@@)1(C2=C(C)C(=O)C=C1)C
InChI=1SC20H28N2O3c11316(23)5720(2)641415(19(24)2518(14)17(13)20)122210821(3)91122h57141518H46812H213H3t1415?1820m0s1
ZINC000020111302
ZINC000020111304
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