Vitas-M small molecule compound
5-benzyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL194060
SMILES Sc1nnc(n1/N=C/c1ccccc1)Cc1ccccc1
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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 C16H14N4S MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4S/c21-16-19-18-15(11-13-7-3-1-4-8-13)20(16)17-12-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,19,21)/b17-12+InChIKey
MFHDKQQANDQGRA-SFQUDFHCSA-NSynonyms
3benzyl4((E)benzylideneamino)1H124triazole5thione
5benzyl4(((E)phenylmethylidene)amino)4H124triazole3thiol
C1=CC=C(C=C1)CC2=NNC(=S)N2N=CC3=CC=CC=C3
InChI=1SC16H14N4Sc2116191815(11137314813)20(16)17121495261014h11012H11H2(H1921)b1712+
MFCD01408850
Sc1nnc(n1N=Cc1ccccc1)Cc1ccccc1
ZINC000005683599
ZINC98027858
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