Vitas-M small molecule compound
ethyl 1-(((3S,3aR,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)piperidine-4-carboxylate
Catalog ID
STL526462
SMILES CCOC(=O)C1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1C(=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)16-7-10-24(11-8-16)14-18-17-12-19-15(2)6-5-9-23(19,3)13-20(17)28-22(18)26/h16-20H,2,4-14H2,1,3H3/t17-,18?,19?,20-,23-/m1/s1InChIKey
DMLONNLDGVEKRB-GGPJSNFESA-NSynonyms
956931-46-716397051
956931467
CCOC(=O)C1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
ethyl1(((3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene2oxo3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran3yl)methyl)piperidine4carboxylate
ethyl1(((3S3aR8aR9aR)8amethyl5methylene2oxododecahydronaphtho(23b)furan3yl)methyl)piperidine4carboxylate
InChI=1SC23H35NO4c142721(25)1671024(11816)141817121915(2)65923(193)1320(17)2822(18)26h1620H2414H213H3t1718?19?2023m1s1
ZINC000004028587
ZINC000012659914
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