Vitas-M small molecule compound
(3R,3aS,5aS,9bS)-3-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-5a,9-dimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Catalog ID
STL547092
SMILES COc1ccc(cc1)N1CCN(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/c1-17-22(29)9-11-26(2)10-8-20-21(25(30)32-24(20)23(17)26)16-27-12-14-28(15-13-27)18-4-6-19(31-3)7-5-18/h4-7,9,11,20-21,24H,8,10,12-16H2,1-3H3/t20-,21?,24-,26-/m0/s1InChIKey
CHDIGQLUUHEUJK-WAZUDGCHSA-NSynonyms
957020-91-6(3~(a)~(S)5~(a)~(S)9~(b)~(S))3((4(4methoxyphenyl)piperazin1yl)methyl)5~(a)9dimethyl3~(a)459~(b)tetrahydro3~(H)benzo(g)(1)benzofuran28dione
(3AS5AS9BS)3(4(4METHOXYPHENYL)PIPERAZIN1YLMETHYL)5A9DIMETHYL3A55A9BTETRAHYDRO3H4HNAPHTHO(12B)FURAN28DIONE
(3R3aS5aS9bS)3((4(4methoxyphenyl)piperazin1yl)methyl)5a9dimethyl3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
16396351
957020916
COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@H)1CC(C@@)1(C2=C(C)C(=O)C=C1)C
InChI=1SC26H32N2O4c11722(29)91126(2)1082021(25(30)3224(20)23(17)26)1627121428(151327)184619(313)7518h47911202124H8101216H213H3t2021?2426m0s1
ZINC000059408810
ZINC000061991194
Check stock
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Check stock on Vitas-MAvailable files
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