Vitas-M small molecule compound
4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL053950
SMILES CSc1ccc(cc1)/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 C19H16N6S2 MW 392.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6S2/c1-27-15-9-7-13(8-10-15)12-20-25-18(23-24-19(25)26)17-11-16(21-22-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22)(H,24,26)/b20-12+InChIKey
DHLWBLSQZAGRTH-UDWIEESQSA-NSynonyms
1037561-33-3(E)4((4(methylthio)benzylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
1037561333
4(((E)(4(methylsulfanyl)phenyl)methylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(4METHYLTHIOPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(4METHYLSULFANYLPHENYL)METHYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
CSC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
CSc1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
CSc1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
InChI=1SC19H16N6S2c127159713(81015)12202518(232419(25)26)171116(212217)145324614h212H1H3(H2122)(H2426)b2012+
MFCD05726906
ZINC000005595712
ZINC01235493
ZINC1235493
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.