Vitas-M small molecule compound
ethyl 2-(4-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384119
SMILES CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)CC)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 C19H21NO4 MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO4/c1-3-12-5-7-13(8-6-12)20-11-19-10-9-14(24-19)15(16(19)17(20)21)18(22)23-4-2/h5-10,14-16H,3-4,11H2,1-2H3InChIKey
MKUCCCRVUNKAPY-UHFFFAOYSA-NSynonyms
(3aS6R7aR)ethyl2(4ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCC1=CC=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)OCC
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)CC)O2
ethyl2(4ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC19H21NO4c13125713(8612)20111910914(2419)15(16(19)17(20)21)18(22)2342h5101416H3411H212H3
MFCD04041453
ZINC000100634672
ZINC000239159603
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