Vitas-M small molecule compound

4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK100931
SMILES COc1ccc(cc1/C=N/n1c(S)nnc1c1ccccc1)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 C16H13BrN4OS MW 389.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4OS/c1-22-14-8-7-13(17)9-12(14)10-18-21-15(19-20-16(21)23)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,23)/b18-10+
InChIKey
ZMNNRHTZYVUDQN-VCHYOVAHSA-N
Synonyms
488707-53-5
(E)4((5bromo2methoxybenzylidene)amino)5phenyl4H124triazole3thiol
4(((E)(5BROMO2METHOXYPHENYL)METHYLIDENE)AMINO)5PHENYL24DIHYDRO3H124TRIAZOLE3THIONE
4(((E)(5BROMO2METHOXYPHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((5BROMO2METHOXYBENZYLIDENE)AMINO)5PHENYL4H(124)TRIAZOLE3THIOL
4((E)(5bromo2methoxyphenyl)methylideneamino)3phenyl1H124triazole5thione
488707535
COC1=C(C=C(C=C1)Br)C=NN2C(=NNC2=S)C3=CC=CC=C3
InChI=1SC16H13BrN4OSc122148713(17)912(14)10182115(192016(21)23)115324611h210H1H3(H2023)b1810+
MFCD00659879
ZINC15987735

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Available files

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