Vitas-M small molecule compound
dimethyl 2-[({3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydropyridazin-1(4H)-yl}acetyl)amino]benzene-1,4-dicarboxylate
Catalog ID
STL144761
SMILES COC(=O)c1ccc(cc1NC(=O)CN1N=C(CCC1=O)c1onc(n1)c1ccc2c(c1)OCO2)C(=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 C25H21N5O9 MW 535.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O9/c1-35-24(33)14-3-5-15(25(34)36-2)17(9-14)26-20(31)11-30-21(32)8-6-16(28-30)23-27-22(29-39-23)13-4-7-18-19(10-13)38-12-37-18/h3-5,7,9-10H,6,8,11-12H2,1-2H3,(H,26,31)InChIKey
NFEZNQXZDGXMSF-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C(=O)CCC(=N2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5
dimethyl2(((3(3(13benzodioxol5yl)124oxadiazol5yl)6oxo56dihydropyridazin1(4H)yl)acetyl)amino)benzene14dicarboxylate
dimethyl2((2(3(3(13benzodioxol5yl)124oxadiazol5yl)6oxo45dihydropyridazin1yl)acetyl)amino)benzene14dicarboxylate
InChI=1SC25H21N5O9c13524(33)143515(25(34)362)17(914)2620(31)113021(32)8616(2830)232722(293923)13471819(1013)38123718h357910H681112H212H3(H2631)
MFCD20752354
ZINC000102920348
ZINC102920348
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