Vitas-M small molecule compound
4-bromo-N-{3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
Catalog ID
STL192998
SMILES CCc1cccc(c1)n1nnc(c1C)c1nsc(n1)NC(=O)c1ccc(cc1)Br
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H17BrN6OS MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN6OS/c1-3-13-5-4-6-16(11-13)27-12(2)17(24-26-27)18-22-20(29-25-18)23-19(28)14-7-9-15(21)10-8-14/h4-11H,3H2,1-2H3,(H,22,23,25,28)InChIKey
PUJVVUGMERINJJ-UHFFFAOYSA-NSynonyms
4bromoN(3(1(3ethylphenyl)5methyl1H123triazol4yl)124thiadiazol5yl)benzamide
4bromoN(3(1(3ethylphenyl)5methyltriazol4yl)124thiadiazol5yl)benzamide
CCC1=CC(=CC=C1)N2C(=C(N=N2)C3=NSC(=N3)NC(=O)C4=CC=C(C=C4)Br)C
InChI=1SC20H17BrN6OSc131354616(1113)2712(2)17(242627)182220(292518)2319(28)147915(21)10814h411H3H212H3(H22232528)
MFCD14983192
ZINC000009638416
ZINC9638416
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