Vitas-M small molecule compound

pentyl 2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384185
SMILES CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)OC)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 C21H25NO5 MW 371.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5/c1-3-4-5-12-26-20(24)17-16-10-11-21(27-16)13-22(19(23)18(17)21)14-6-8-15(25-2)9-7-14/h6-11,16-18H,3-5,12-13H2,1-2H3
InChIKey
NBEGDXYKLUBHOD-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)pentyl2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=C(C=C4)OC)O2
InChI=1SC21H25NO5c1345122620(24)1716101121(2716)1322(19(23)18(17)21)146815(252)9714h6111618H351213H212H3
MFCD03849273
pentyl2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000169620111
ZINC000239164866

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Available files

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