Vitas-M small molecule compound

4-(1-benzyl-1H-pyrazol-4-yl)-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL402127
SMILES Sc1nnc(n1c1cnn(c1)Cc1ccccc1)Cn1cccn1

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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 C16H15N7S MW 337.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N7S/c24-16-20-19-15(12-21-8-4-7-17-21)23(16)14-9-18-22(11-14)10-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,20,24)
InChIKey
QUYHTCWJMQZBPB-UHFFFAOYSA-N
Synonyms
1005556-11-5
1005556115
4(1benzyl1Hpyrazol4yl)5(1Hpyrazol1ylmethyl)4H124triazole3thiol
4(1benzylpyrazol4yl)3(pyrazol1ylmethyl)1H124triazole5thione
C1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)CN4C=CC=N4
InChI=1SC16H15N7Sc2416201915(12218471721)23(16)1491822(1114)10135213613h1911H1012H2(H2024)
MFCD04137781
ZINC000002809271
ZINC02809271
ZINC2809271

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Available files

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