Vitas-M small molecule compound

pentyl 2-(3-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384211
SMILES CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1cccc(c1)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/c1-3-4-5-11-25-20(24)17-16-9-10-21(26-16)13-22(19(23)18(17)21)15-8-6-7-14(2)12-15/h6-10,12,16-18H,3-5,11,13H2,1-2H3
InChIKey
PBDFVNJCTCFKNS-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)pentyl1oxo2(mtolyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1cccc(c1)C)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=CC(=C4)C)O2
InChI=1SC21H25NO4c1345112520(24)171691021(2616)1322(19(23)18(17)21)1586714(2)1215h610121618H351113H212H3
MFCD03849278
pentyl2(3methylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226888995
ZINC000239173981

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.