Vitas-M small molecule compound

methyl 1-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-5-oxo-L-prolyl-D-leucinate

Catalog ID
STL546590
SMILES COC(=O)[C@H](NC(=O)[C@@H]1CCC(=O)N1C1OC(=O)c2c1ccc(c2OC)OC)CC(C)C

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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 C22H28N2O8 MW 448.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O8/c1-11(2)10-13(21(27)31-5)23-19(26)14-7-9-16(25)24(14)20-12-6-8-15(29-3)18(30-4)17(12)22(28)32-20/h6,8,11,13-14,20H,7,9-10H2,1-5H3,(H,23,26)/t13-,14+,20?/m1/s1
InChIKey
MMQUYVMIBCZPRK-NTCUHZHNSA-N
Synonyms
956944-96-0
(2R)methyl2((2S)1(45dimethoxy3oxo13dihydroisobenzofuran1yl)5oxopyrrolidine2carboxamido)4methylpentanoate
16399648
956944960
COC(=O)(C@H)(NC(=O)(C@@H)1CCC(=O)N1C1OC(=O)c2c1ccc(c2OC)OC)CC(C)C
InChI=1SC22H28N2O8c111(2)1013(21(27)315)2319(26)147916(25)24(14)20126815(293)18(304)17(12)22(28)3220h6811131420H7910H215H3(H2326)t1314+20?m1s1
methyl(2~(R))2(((2~(S))1(45dimethoxy3oxo1~(H)2benzofuran1yl)5oxopyrrolidine2carbonyl)amino)4methylpentanoate
methyl1(45dimethoxy3oxo13dihydro2benzofuran1yl)5oxoLprolylDleucinate
ZINC000008917843
ZINC000008917844

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Available files

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