Vitas-M small molecule compound
ethyl 3-[({4-[(5-chloro-2-methylphenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate
Catalog ID
STL142998
SMILES CCOC(=O)c1cccc(c1)NC(=O)Cn1nnc(c1C)C(=O)Nc1cc(Cl)ccc1C
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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 C22H22ClN5O4 MW 455.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O4/c1-4-32-22(31)15-6-5-7-17(10-15)24-19(29)12-28-14(3)20(26-27-28)21(30)25-18-11-16(23)9-8-13(18)2/h5-11H,4,12H2,1-3H3,(H,24,29)(H,25,30)InChIKey
SQRYDAAEXONXJQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=C(C=CC(=C3)Cl)C)C
ethyl3(((4((5chloro2methylphenyl)carbamoyl)5methyl1H123triazol1yl)acetyl)amino)benzoate
ethyl3((2(4((5chloro2methylphenyl)carbamoyl)5methyltriazol1yl)acetyl)amino)benzoate
InChI=1SC22H22ClN5O4c143222(31)1565717(1015)2419(29)122814(3)20(262728)21(30)25181116(23)9813(18)2h511H412H213H3(H2429)(H2530)
MFCD20747787
ZINC000071327339
ZINC71327339
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