Vitas-M small molecule compound
4-{[(E)-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL178762
SMILES CCc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1Cl)Br)S
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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 C16H14BrClN4O2S MW 441.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrClN4O2S/c1-2-15-20-21-16(25)22(15)19-8-11-4-5-12(24-11)9-23-14-6-3-10(17)7-13(14)18/h3-8H,2,9H2,1H3,(H,21,25)/b19-8+InChIKey
XOCWITUQZBQURM-UFWORHAWSA-NSynonyms
866738-79-64(((E)(5((4bromo2chlorophenoxy)methyl)furan2yl)methylidene)amino)5ethyl4H124triazole3thiol
4((E)(5((4bromo2chlorophenoxy)methyl)furan2yl)methylideneamino)3ethyl1H124triazole5thione
866738796
CCC1=NNC(=S)N1N=CC2=CC=C(O2)COC3=C(C=C(C=C3)Br)Cl
CCc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1Cl)Br)S
InChI=1SC16H14BrClN4O2Sc1215202116(25)22(15)198114512(2411)923146310(17)713(14)18h38H29H21H3(H2125)b198+
MFCD08553332
ZINC000036611432
ZINC96576922
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