Vitas-M small molecule compound
ethyl 1-(((3S,3aR,8aR,9aR)-5,8a-dimethyl-2-oxo-2,3,3a,4,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-3-yl)methyl)piperidine-3-carboxylate
Catalog ID
STL553159
SMILES CCOC(=O)C1CCCN(C1)CC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)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 C23H35NO4 MW 389.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO4/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/h16-18,20H,4-14H2,1-3H3/t16?,17-,18?,20-,23-/m1/s1InChIKey
SBBCQMGYCCNVDO-HEPNJAGDSA-NSynonyms
956815-22-816398520
956815228
CCOC(=O)C1CCCN(C1)CC1C(=O)O(C@H)2(C@@H)1CC1=C(C)CCC(C@@)1(C2)C
ethyl1(((3~(a)~(R)8~(a)~(R)9~(a)~(R))58~(a)dimethyl2oxo33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran3yl)methyl)piperidine3carboxylate
ethyl1(((3S3aR8aR9aR)58adimethyl2oxo233a46788a99adecahydronaphtho(23b)furan3yl)methyl)piperidine3carboxylate
InChI=1SC23H35NO4c142721(25)16861024(1316)141817111915(2)75923(193)1220(17)2822(18)26h161820H414H213H3t16?1718?2023m1s1
ZINC000004044685
ZINC000105369628
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