Vitas-M small molecule compound
ethyl 3-[({4-[(3,5-dichlorophenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate
Catalog ID
STL142990
SMILES CCOC(=O)c1cccc(c1)NC(=O)Cn1nnc(c1C)C(=O)Nc1cc(Cl)cc(c1)Cl
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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 C21H19Cl2N5O4 MW 476.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5O4/c1-3-32-21(31)13-5-4-6-16(7-13)24-18(29)11-28-12(2)19(26-27-28)20(30)25-17-9-14(22)8-15(23)10-17/h4-10H,3,11H2,1-2H3,(H,24,29)(H,25,30)InChIKey
YKUFILLMAANWQX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)C
ethyl3(((4((35dichlorophenyl)carbamoyl)5methyl1H123triazol1yl)acetyl)amino)benzoate
ethyl3((2(4((35dichlorophenyl)carbamoyl)5methyltriazol1yl)acetyl)amino)benzoate
InChI=1SC21H19Cl2N5O4c133221(31)1354616(713)2418(29)112812(2)19(262728)20(30)2517914(22)815(23)1017h410H311H212H3(H2429)(H2530)
MFCD20747779
ZINC000071327331
ZINC71327331
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