Vitas-M small molecule compound
pentyl 2-(4-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384124
SMILES CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)CC)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/c1-3-5-6-13-26-21(25)18-17-11-12-22(27-17)14-23(20(24)19(18)22)16-9-7-15(4-2)8-10-16/h7-12,17-19H,3-6,13-14H2,1-2H3InChIKey
DSNHWSIXXYUTEW-UHFFFAOYSA-NSynonyms
(3aS6R7aR)pentyl2(4ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)CC)O2
CCCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)C4=CC=C(C=C4)CC)O2
InChI=1SC22H27NO4c1356132621(25)1817111222(2717)1423(20(24)19(18)22)169715(42)81016h7121719H361314H212H3
MFCD04041458
pentyl2(4ethylphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000226888323
ZINC000239038712
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