Vitas-M small molecule compound
ethyl 4-[({4-[(3-fluoro-4-methylphenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate
Catalog ID
STL129871
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1nnc(c1C)C(=O)Nc1ccc(c(c1)F)C
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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 C22H22FN5O4 MW 439.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O4/c1-4-32-22(31)15-6-9-16(10-7-15)24-19(29)12-28-14(3)20(26-27-28)21(30)25-17-8-5-13(2)18(23)11-17/h5-11H,4,12H2,1-3H3,(H,24,29)(H,25,30)InChIKey
MXFSHGIWMPIIAG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)C)F)C
ethyl4(((4((3fluoro4methylphenyl)carbamoyl)5methyl1H123triazol1yl)acetyl)amino)benzoate
ethyl4((2(4((3fluoro4methylphenyl)carbamoyl)5methyltriazol1yl)acetyl)amino)benzoate
InChI=1SC22H22FN5O4c143222(31)156916(10715)2419(29)122814(3)20(262728)21(30)25178513(2)18(23)1117h511H412H213H3(H2429)(H2530)
MFCD20748017
ZINC000067323176
ZINC67323176
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