Vitas-M small molecule compound
N~2~-({[(2Z)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-asparagine
Catalog ID
STL532765
SMILES COc1cc(OC)ccc1/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/c1-31-13-4-3-12(17(8-13)32-2)7-19-22(28)15-6-5-14(9-18(15)34-19)33-11-21(27)25-16(23(29)30)10-20(24)26/h3-9,16H,10-11H2,1-2H3,(H2,24,26)(H,25,27)(H,29,30)/b19-7-/t16-/m1/s1InChIKey
XYKJTDUIRIHHPG-WUBXBPHZSA-NSynonyms
956826-58-7(2~(R))4amino2((2(((2~(Z))2((24dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)4oxobutanoicacid
(RZ)4AMINO2(2((2(24DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)4OXOBUTANOICACID
(SZ)4amino2(2((2(24dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)4oxobutanoicacid
16404597
956826587
COc1cc(OC)ccc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)CC(=O)N
InChI=1SC23H22N2O9c131134312(17(813)322)71922(28)156514(918(15)3419)331121(27)2516(23(29)30)1020(24)26h3916H1011H212H3(H22426)(H2527)(H2930)b197t16m1s1
N~2~((((2Z)2(24dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Dasparagine
N2((((2Z)2(24DIMETHOXYBENZYLIDENE)3OXO23DIHYDRO1BENZOFURAN6YL)OXY)ACETYL)DASPARAGINE
ZINC000012884457
ZINC12884457
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