Vitas-M small molecule compound
{1-[({[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}amino)methyl]cyclohexyl}acetic acid
Catalog ID
STL158336
SMILES COc1ccc(c(c1)F)c1ccc(=O)n(n1)CC(=O)NCC1(CCCCC1)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 C22H26FN3O5 MW 431.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26FN3O5/c1-31-15-5-6-16(17(23)11-15)18-7-8-20(28)26(25-18)13-19(27)24-14-22(12-21(29)30)9-3-2-4-10-22/h5-8,11H,2-4,9-10,12-14H2,1H3,(H,24,27)(H,29,30)InChIKey
XNMAEBMGTIZXAB-UHFFFAOYSA-NSynonyms
1246050-49-6(1((((3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)amino)methyl)cyclohexyl)aceticacid
1246050496
2(1(((2(3(2fluoro4methoxyphenyl)6oxopyridazin1yl)acetyl)amino)methyl)cyclohexyl)aceticacid
2(1((2(3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)methyl)cyclohexyl)aceticacid
COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3(CCCCC3)CC(=O)O)F
InChI=1SC22H26FN3O5c131155616(17(23)1115)187820(28)26(2518)1319(27)241422(1221(29)30)93241022h5811H249101214H21H3(H2427)(H2930)
MFCD18065862
ZINC000049544644
ZINC49544644
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