Vitas-M small molecule compound
ethyl 1-(((3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-2,3,3a,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-3-yl)methyl)piperidine-3-carboxylate
Catalog ID
STL562771
SMILES CCOC(=O)C1CCCN(C1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)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 C23H33NO4 MW 387.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33NO4/c1-4-27-21(25)16-8-6-10-24(13-16)14-18-17-11-19-15(2)7-5-9-23(19,3)12-20(17)28-22(18)26/h7,11,16-18,20H,4-6,8-10,12-14H2,1-3H3/t16?,17-,18?,20-,23-/m1/s1InChIKey
COBANFXUQLODDA-HEPNJAGDSA-NSynonyms
957004-29-416398343
957004294
CCOC(=O)C1CCCN(C1)CC1C(=O)O(C@H)2(C@@H)1C=C1C(=CCC(C@@)1(C2)C)C
ethyl1(((3aR8aR9aR)58adimethyl2oxo33a7899ahexahydrobenzo(f)(1)benzofuran3yl)methyl)piperidine3carboxylate
ethyl1(((3S3aR8aR9aR)58adimethyl2oxo233a788a99aoctahydronaphtho(23b)furan3yl)methyl)piperidine3carboxylate
InChI=1SC23H33NO4c142721(25)16861024(1316)141817111915(2)75923(193)1220(17)2822(18)26h711161820H468101214H213H3t16?1718?2023m1s1
ZINC000004043952
ZINC000105369283
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