Vitas-M small molecule compound

butyl (3aS,6R)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STL527603
SMILES CCCCOC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(cc1)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-3-4-11-24-19(23)16-15-9-10-20(25-15)12-21(18(22)17(16)20)14-7-5-13(2)6-8-14/h5-10,15-17H,3-4,11-12H2,1-2H3/t15-,16?,17?,20-/m1/s1
InChIKey
FENIVDUEHXYXKN-FLAIETJXSA-N
Synonyms
956973-44-7
(3aS6R)butyl1oxo2(ptolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
16398073
956973447
butyl(1~(S)7~(R))3(4methylphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
butyl(3aS6R)2(4methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)c1ccc(cc1)C)O2
InChI=1SC20H23NO4c134112419(23)161591020(2515)1221(18(22)17(16)20)147513(2)6814h5101517H341112H212H3t1516?17?20m1s1
MFCD03660315
ZINC000002140235
ZINC000002140238

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Available files

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