Vitas-M small molecule compound
ethyl (3aS,6R,7aR)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564225
SMILES CCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(c1ccc(cc1)OC)C)O2
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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 C20H23NO5 MW 357.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5/c1-4-25-19(23)16-15-9-10-20(26-15)11-21(18(22)17(16)20)12(2)13-5-7-14(24-3)8-6-13/h5-10,12,15-17H,4,11H2,1-3H3/t12?,15-,16?,17+,20-/m1/s1InChIKey
JDRAQFXCNZIIPO-PXVIFWBJSA-NSynonyms
1164459-31-7(3aS6R7aR)ethyl2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1164459317
5389700
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(c1ccc(cc1)OC)C)O2
ethyl(1S5R7R)3(1(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
ethyl(3aS6R7aR)2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC20H23NO5c142519(23)161591020(2615)1121(18(22)17(16)20)12(2)135714(243)8613h510121517H411H213H3t12?1516?17+20m1s1
MFCD04157275
ZINC000002402768
ZINC000002402771
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