Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL534938
SMILES Clc1ccc(cc1)C1(O)CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2
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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 C26H34ClNO4 MW 460.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34ClNO4/c1-24-7-2-8-26(16-31-26)22(24)13-19-20(23(29)32-21(19)14-24)15-28-11-9-25(30,10-12-28)17-3-5-18(27)6-4-17/h3-6,19-22,30H,2,7-16H2,1H3/t19-,20?,21-,22?,24-,26?/m1/s1InChIKey
ZUVFLFLCXSNTLA-WKJXKAOVSA-NSynonyms
1212463-15-4(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(4chlorophenyl)4hydroxypiperidin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((4(4chlorophenyl)4hydroxypiperidin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212463154
16404855
Clc1ccc(cc1)C1(O)CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC26H34ClNO4c12472826(163126)22(24)131920(23(29)3221(19)1424)152811925(30101228)173518(27)6417h36192230H2716H21H3t1920?2122?2426?m1s1
ZINC000008791039
ZINC000082051314
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