Vitas-M small molecule compound

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

Catalog ID
STL055367
SMILES Cc1cccc(c1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

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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 C19H16N6S MW 360.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6S/c1-13-6-5-7-14(10-13)12-20-25-18(23-24-19(25)26)17-11-16(21-22-17)15-8-3-2-4-9-15/h2-12H,1H3,(H,21,22)(H,24,26)/b20-12+
InChIKey
QLFQYEDTPKEPQK-UDWIEESQSA-N
Synonyms
849917-84-6
(E)4((3methylbenzylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
4(((E)(3methylphenyl)methylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(3METHYLPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(3METHYLPHENYL)METHYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
5(5PHENYL2HPYRAZOL3YL)4((1MTOLYLMETH(E)YLIDENE)AMINO)4H(124)TRIAZOLE3THIOL
849917846
CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
Cc1cccc(c1)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
Cc1cccc(c1)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
InChI=1SC19H16N6Sc11365714(1013)12202518(232419(25)26)171116(212217)158324915h212H1H3(H2122)(H2426)b2012+
MFCD05726653
ZINC000006785756
ZINC15987675

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Available files

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