Vitas-M small molecule compound
pentyl 2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384084
SMILES CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)C)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/c1-3-4-5-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)15-8-6-14(2)7-9-15/h6-11,16-18H,3-5,12-13H2,1-2H3InChIKey
UPDLYZZJCCSFOW-UHFFFAOYSA-NSynonyms
(3aS6R)pentyl1oxo2(ptolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)c1ccc(cc1)C)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=C(C=C4)C)O2
InChI=1SC21H25NO4c1345122520(24)1716101121(2616)1322(19(23)18(17)21)158614(2)7915h6111618H351213H212H3
MFCD03799677
pentyl2(4methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226753862
ZINC000245238566
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