Vitas-M small molecule compound
N-({[(2E)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Catalog ID
STL516718
SMILES COc1ccc(cc1/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O)OC
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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 C22H21NO8 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO8/c1-28-14-4-6-17(29-2)13(9-14)10-19-22(27)16-5-3-15(11-18(16)31-19)30-12-20(24)23-8-7-21(25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,24)(H,25,26)/b19-10+InChIKey
YMECUBJJBAILOQ-VXLYETTFSA-NSynonyms
864751-94-0(E)3(2((2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)propanoicacid
3((2(((2~(E))2((25dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)propanoicacid
3((2(((2E)2((25DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETYL)AMINO)PROPANOICACID
6235729
864751940
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O)OC
InChI=1SC22H21NO8c128144617(292)13(914)101922(27)165315(1118(16)3119)301220(24)238721(25)26h36911H7812H212H3(H2324)(H2526)b1910+
MFCD07637861
N((((2E)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)betaalanine
ZINC000008876766
ZINC8876766
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