Vitas-M small molecule compound
4-{[(E)-{2-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL380545
SMILES COc1cc(/C=N/n2c(S)nnc2c2ccccc2)c(cc1OCc1ccc(cc1)Cl)Br
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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 C23H18BrClN4O2S MW 529.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrClN4O2S/c1-30-20-11-17(19(24)12-21(20)31-14-15-7-9-18(25)10-8-15)13-26-29-22(27-28-23(29)32)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,28,32)/b26-13+InChIKey
GNSQAXAYHLIVSU-LGJNPRDNSA-NSynonyms
4(((E)(2bromo4((4chlorobenzyl)oxy)5methoxyphenyl)methylidene)amino)5phenyl4H124triazole3thiol
4((E)(2bromo4((4chlorophenyl)methoxy)5methoxyphenyl)methylideneamino)3phenyl1H124triazole5thione
COC1=C(C=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)Cl
COc1cc(C=Nn2c(S)nnc2c2ccccc2)c(cc1OCc1ccc(cc1)Cl)Br
InChI=1SC23H18BrClN4O2Sc130201117(19(24)1221(20)3114157918(25)10815)13262922(272823(29)32)165324616h213H14H21H3(H2832)b2613+
MFCD04086996
ZINC000100311482
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