Vitas-M small molecule compound

4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL040653
SMILES Cl/C(=C\c1ccccc1)/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 C20H15ClN6S MW 406.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN6S/c21-16(11-14-7-3-1-4-8-14)13-22-27-19(25-26-20(27)28)18-12-17(23-24-18)15-9-5-2-6-10-15/h1-13H,(H,23,24)(H,26,28)/b16-11-,22-13+
InChIKey
HYHKEFFJQAONKP-HNYPPXODSA-N
Synonyms
1037801-43-6
1037801436
4(((1E2Z)2chloro3phenylprop2en1ylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((E)((Z)2chloro3phenylallylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
4((E)((Z)2chloro3phenylprop2enylidene)amino)3(3phenyl1Hpyrazol5yl)1H124triazole5thione
C1=CC=C(C=C1)C=C(C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4)Cl
ClC(=Cc1ccccc1)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
ClC(=Cc1ccccc1)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
InChI=1SC20H15ClN6Sc2116(11147314814)13222719(252620(27)28)181217(232418)1595261015h113H(H2324)(H2628)b16112213+
MFCD05729861
ZINC000009360882
ZINC34387178

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Available files

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