Vitas-M small molecule compound

N-({[(2Z)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-aspartic acid

Catalog ID
STL533179
SMILES COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N[C@H](C(=O)O)CC(=O)O

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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 C22H19NO9 MW 441.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO9/c1-30-13-4-2-12(3-5-13)8-18-21(27)15-7-6-14(9-17(15)32-18)31-11-19(24)23-16(22(28)29)10-20(25)26/h2-9,16H,10-11H2,1H3,(H,23,24)(H,25,26)(H,28,29)/b18-8-/t16-/m0/s1
InChIKey
KUCDSPHBCLBMJW-PKXKBNNOSA-N
Synonyms
956817-23-5
(2~(S))2((2(((2~(Z))2((4methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)butanedioicacid
(SZ)2(2((2(4METHOXYBENZYLIDENE)3OXO23DIHYDROBENZOFURAN6YL)OXY)ACETAMIDO)SUCCINICACID
16403626
956817235
COc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)N(C@H)(C(=O)O)CC(=O)O
InChI=1SC22H19NO9c130134212(3513)81821(27)157614(917(15)3218)311119(24)2316(22(28)29)1020(25)26h2916H1011H21H3(H2324)(H2526)(H2829)b188t16m0s1
N((((2Z)2(4methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Lasparticacid
ZINC000012880996
ZINC12880996

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Available files

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