Vitas-M small molecule compound
methyl (3aS,6R,7aR)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL563136
SMILES CCCCN1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)OC
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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 C14H19NO4 MW 265.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NO4/c1-3-4-7-15-8-14-6-5-9(19-14)10(13(17)18-2)11(14)12(15)16/h5-6,9-11H,3-4,7-8H2,1-2H3/t9-,10?,11+,14-/m1/s1InChIKey
HTEJZFBCGKMFRG-OAYJICASSA-NSynonyms
956819-75-3(3aS6R7aR)methyl2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398411
956819753
CCCCN1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OC
InChI=1SC14H19NO4c134715814659(1914)10(13(17)182)11(14)12(15)16h56911H3478H212H3t910?11+14m1s1
methyl(1S5R7R)3butyl4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
methyl(3aS6R7aR)2butyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD03662057
ZINC000004044169
ZINC000004044171
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