Vitas-M small molecule compound
butyl 2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384093
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccccc1CC)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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-3-5-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)15-9-7-6-8-14(15)4-2/h6-11,16-18H,3-5,12-13H2,1-2H3InChIKey
SMBHTVWBJZTLQK-UHFFFAOYSA-NSynonyms
(3aS6R7aR)butyl2(2ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
butyl2(2ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccccc1CC)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=CC=C4CC)O2
InChI=1SC21H25NO4c135122520(24)1716101121(2616)1322(19(23)18(17)21)15976814(15)42h6111618H351213H212H3
MFCD04041435
ZINC000226888069
ZINC000239203495
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