Vitas-M small molecule compound
N~2~-({[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-asparagine
Catalog ID
STL532012
SMILES COc1cc(ccc1OC)/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/c1-31-16-6-3-12(7-18(16)32-2)8-19-22(28)14-5-4-13(9-17(14)34-19)33-11-21(27)25-15(23(29)30)10-20(24)26/h3-9,15H,10-11H2,1-2H3,(H2,24,26)(H,25,27)(H,29,30)/b19-8-/t15-/m0/s1InChIKey
XVBRJEUIARTSIU-CPIUSTHESA-NSynonyms
956827-42-2(2~(S))4amino2((2(((2~(Z))2((34dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)4oxobutanoicacid
(RZ)4amino2(2((2(34dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)4oxobutanoicacid
(SZ)4AMINO2(2((2(34DIMETHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)4OXOBUTANOICACID
16405002
956827422
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@@H)(C(=O)O)CC(=O)N
InChI=1SC23H22N2O9c131166312(718(16)322)81922(28)145413(917(14)3419)331121(27)2515(23(29)30)1020(24)26h3915H1011H212H3(H22426)(H2527)(H2930)b198t15m0s1
N~2~((((2Z)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lasparagine
N2((((2Z)2(34DIMETHOXYBENZYLIDENE)3OXO23DIHYDRO1BENZOFURAN6YL)OXY)ACETYL)LASPARAGINE
ZINC000012885898
ZINC12885898
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