Vitas-M small molecule compound
propan-2-yl (3aS,6R,7aR)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL538815
SMILES CCCCN1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)OC(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 C16H23NO4 MW 293.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO4/c1-4-5-8-17-9-16-7-6-11(21-16)12(13(16)14(17)18)15(19)20-10(2)3/h6-7,10-13H,4-5,8-9H2,1-3H3/t11-,12?,13+,16-/m1/s1InChIKey
WRUVYAAJEWEACU-HCYBMXRASA-NSynonyms
957019-31-7(3aS6R7aR)isopropyl2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398449
957019317
CCCCN1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OC(C)C
InChI=1SC16H23NO4c1458179167611(2116)12(13(16)14(17)18)15(19)2010(2)3h671013H4589H213H3t1112?13+16m1s1
MFCD03662258
propan2yl(1~(S)5~(R)7~(R))3butyl4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
propan2yl(3aS6R7aR)2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000004044315
ZINC000004044317
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