Vitas-M small molecule compound
4-[({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)amino]butanoic acid
Catalog ID
STL515656
SMILES O=C(COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O)NCCCC(=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 C22H19NO8 MW 425.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO8/c24-20(23-7-1-2-21(25)26)11-28-14-4-5-15-17(10-14)31-19(22(15)27)9-13-3-6-16-18(8-13)30-12-29-16/h3-6,8-10H,1-2,7,11-12H2,(H,23,24)(H,25,26)/b19-9-InChIKey
GNDVNOHAIYLOQR-OCKHKDLRSA-NSynonyms
859669-40-2(Z)4(2((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)butanoicacid
16403731
4(((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)amino)butanoicacid
4((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)butanoicacid
859669402
InChI=1SC22H19NO8c2420(2371221(25)26)112814451517(1014)3119(22(15)27)913361618(813)30122916h36810H1271112H2(H2324)(H2526)b199
MFCD06765110
O=C(COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)NCCCC(=O)O
ZINC000008790033
ZINC8790033
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