Vitas-M small molecule compound
ethyl 4-(((3S,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)piperazine-1-carboxylate
Catalog ID
STL547755
SMILES CCOC(=O)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=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 C22H34N2O4 MW 390.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O4/c1-4-27-21(26)24-10-8-23(9-11-24)14-17-16-12-18-15(2)6-5-7-22(18,3)13-19(16)28-20(17)25/h16-19H,2,4-14H2,1,3H3/t16-,17?,18+,19-,22-/m1/s1InChIKey
VLIDGLKYDMEAAQ-ALJCFLIJSA-NSynonyms
956990-52-616400648
956990526
CCOC(=O)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C(=C)CCC(C@@)1(C2)C
ethyl4(((3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene2oxo3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran3yl)methyl)piperazine1carboxylate
ethyl4(((3S3aR4aS8aR9aR)8amethyl5methylene2oxododecahydronaphtho(23b)furan3yl)methyl)piperazine1carboxylate
InChI=1SC22H34N2O4c142721(26)2410823(91124)141716121815(2)65722(183)1319(16)2820(17)25h1619H2414H213H3t1617?18+1922m1s1
MFCD32650044
ZINC000020609731
ZINC000020609733
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