Vitas-M small molecule compound
4-({(E)-[3,5-dichloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK114092
SMILES C#CCOc1c(Cl)cc(cc1Cl)/C=N/n1c(S)nnc1c1ccccc1
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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 C18H12Cl2N4OS MW 403.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl2N4OS/c1-2-8-25-16-14(19)9-12(10-15(16)20)11-21-24-17(22-23-18(24)26)13-6-4-3-5-7-13/h1,3-7,9-11H,8H2,(H,23,26)/b21-11+InChIKey
LZBUQVUYBBZKLG-SRZZPIQSSA-NSynonyms
4(((E)(35DICHLORO4(PROP2YN1YLOXY)PHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((E)(35dichloro4prop2ynoxyphenyl)methylideneamino)3phenyl1H124triazole5thione
C#CCOC1=C(C=C(C=C1Cl)C=NN2C(=NNC2=S)C3=CC=CC=C3)Cl
C#CCOc1c(Cl)cc(cc1Cl)C=Nn1c(S)nnc1c1ccccc1
InChI=1SC18H12Cl2N4OSc128251614(19)912(1015(16)20)11212417(222318(24)26)136435713h137911H8H2(H2326)b2111+
MFCD05134064
ZINC000004690338
ZINC33675283
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