Vitas-M small molecule compound

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

Catalog ID
STL563018
SMILES CCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCCC)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 C17H25NO4 MW 307.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25NO4/c1-3-5-9-18-11-17-8-7-12(22-17)13(14(17)15(18)19)16(20)21-10-6-4-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,13?,14+,17-/m1/s1
InChIKey
PVOCUWNFIPNMEB-XWEZZZMOSA-N
Synonyms
957030-72-7
(3aS6R7aR)butyl2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398424
957030727
butyl(1S5R7R)3butyl4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
butyl(3aS6R7aR)2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCCC)O2
InChI=1SC17H25NO4c13591811178712(2217)13(14(17)15(18)19)16(20)2110642h781214H36911H212H3t1213?14+17m1s1
MFCD03662114
ZINC000004044221
ZINC000004044223

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Available files

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