Vitas-M small molecule compound

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

Catalog ID
STL051235
SMILES Sc1nnc(n1/N=C/c1ccccc1)c1n[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 C18H14N6S MW 346.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N6S/c25-18-23-22-17(24(18)19-12-13-7-3-1-4-8-13)16-11-15(20-21-16)14-9-5-2-6-10-14/h1-12H,(H,20,21)(H,23,25)/b19-12+
InChIKey
KPBBENZWCBIMQV-XDHOZWIPSA-N
Synonyms
716333-59-4
(E)4(benzylideneamino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
4(((E)phenylmethylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2PHENYL1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((1PHENYLMETH(E)YLIDENE)AMINO)5(5PHENYL2HPYRAZOL3YL)4H(124)TRIAZOLE3THIOL
4((E)BENZYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
716333594
C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
InChI=1SC18H14N6Sc2518232217(24(18)1912137314813)161115(202116)1495261014h112H(H2021)(H2325)b1912+
MFCD05738239
Sc1nnc(n1N=Cc1ccccc1)c1(nH)nc(c1)c1ccccc1
Sc1nnc(n1N=Cc1ccccc1)c1n(nH)c(c1)c1ccccc1
ZINC000006786188
ZINC15987690

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.