Vitas-M small molecule compound
2-methylpropyl (3aS,6R,7aR)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL563089
SMILES CCCCN1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)OCC(C)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 C17H25NO4 MW 307.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25NO4/c1-4-5-8-18-10-17-7-6-12(22-17)13(14(17)15(18)19)16(20)21-9-11(2)3/h6-7,11-14H,4-5,8-10H2,1-3H3/t12-,13?,14+,17-/m1/s1InChIKey
NIFXRUKLZIIAPQ-XWEZZZMOSA-NSynonyms
956957-88-3(3aS6R7aR)isobutyl2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398362
2methylpropyl(1S5R7R)3butyl4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
2methylpropyl(3aS6R7aR)2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
956957883
CCCCN1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCC(C)C
InChI=1SC17H25NO4c14581810177612(2217)13(14(17)15(18)19)16(20)21911(2)3h671114H45810H213H3t1213?14+17m1s1
MFCD03661855
ZINC000004044022
ZINC000004044023
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