Vitas-M small molecule compound
N-({[(2E)-2-(2,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
Catalog ID
STL515935
SMILES COc1cc(OC)ccc1/C=C\1/Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=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 C22H21NO8 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO8/c1-28-14-4-3-13(17(10-14)29-2)9-19-22(27)16-6-5-15(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)/b19-9+InChIKey
DQJQPFPIEZWYBC-DJKKODMXSA-NSynonyms
864761-86-4(E)3(2((2(24dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)propanoicacid
3((2(((2~(E))2((24dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)propanoicacid
3((2(((2E)2((24DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETYL)AMINO)PROPANOICACID
6236092
864761864
COc1cc(OC)ccc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)NCCC(=O)O
InChI=1SC22H21NO8c128144313(17(1014)292)91922(27)166515(1118(16)3119)301220(24)238721(25)26h36911H7812H212H3(H2324)(H2526)b199+
MFCD07637823
N((((2E)2(24dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)betaalanine
ZINC000008876733
ZINC8876733
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