Vitas-M small molecule compound

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

Catalog ID
STK384095
SMILES CCCCCOC(=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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-3-5-8-13-26-21(25)18-17-11-12-22(27-17)14-23(20(24)19(18)22)16-10-7-6-9-15(16)4-2/h6-7,9-12,17-19H,3-5,8,13-14H2,1-2H3
InChIKey
CNZTXOSZDSPHLM-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)pentyl2(2ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccccc1CC)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=CC=C4CC)O2
InChI=1SC22H27NO4c1358132621(25)1817111222(2717)1423(20(24)19(18)22)161076915(16)42h679121719H3581314H212H3
MFCD04041437
pentyl2(2ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226888101
ZINC000239030906

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Available files

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