Vitas-M small molecule compound

N~2~-({[(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-asparagine

Catalog ID
STL534523
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@@H](C(=O)O)CC(=O)N

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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 C23H22N2O9 MW 470.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O9/c1-31-16-5-3-4-12(22(16)32-2)8-18-21(28)14-7-6-13(9-17(14)34-18)33-11-20(27)25-15(23(29)30)10-19(24)26/h3-9,15H,10-11H2,1-2H3,(H2,24,26)(H,25,27)(H,29,30)/b18-8-/t15-/m1/s1
InChIKey
FMOAXLGTXJKOCG-OADJVDCOSA-N
Synonyms
956817-46-2
(2~(R))4amino2((2(((2~(Z))2((23dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)4oxobutanoicacid
(RZ)4AMINO2(2((2(23DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)4OXOBUTANOICACID
16403741
956817462
COc1c(cccc1OC)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@@H)(C(=O)O)CC(=O)N
InChI=1SC23H22N2O9c1311653412(22(16)322)81821(28)147613(917(14)3418)331120(27)2515(23(29)30)1019(24)26h3915H1011H212H3(H22426)(H2527)(H2930)b188t15m1s1
N~2~((((2Z)2(23dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Dasparagine
N2((((2Z)2(23DIMETHOXYBENZYLIDENE)3OXO23DIHYDRO1BENZOFURAN6YL)OXY)ACETYL)DASPARAGINE
ZINC000008790037
ZINC8790037

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Available files

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