Vitas-M small molecule compound
propyl (3aS,6R,7aR)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564163
SMILES CCCCN1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)OCCC
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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 C16H23NO4 MW 293.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO4/c1-3-5-8-17-10-16-7-6-11(21-16)12(13(16)14(17)18)15(19)20-9-4-2/h6-7,11-13H,3-5,8-10H2,1-2H3/t11-,12?,13+,16-/m1/s1InChIKey
DYOKCTGJUKISSP-HCYBMXRASA-NSynonyms
1214632-86-6(3aS6R7aR)propyl2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1214632866
17577105
CCCCN1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCCC
InChI=1SC16H23NO4c13581710167611(2116)12(13(16)14(17)18)15(19)20942h671113H35810H212H3t1112?13+16m1s1
MFCD03662245
propyl(1S5R7R)3butyl4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
propyl(3aS6R7aR)2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000005577899
ZINC000005577902
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