Vitas-M small molecule compound

4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-bromo-5-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK311482
SMILES Sc1nnc(n1c1cnn(c1)Cc1ccccc1)Cn1ncc(c1C)Br

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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 C17H16BrN7S MW 430.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN7S/c1-12-15(18)8-20-24(12)11-16-21-22-17(26)25(16)14-7-19-23(10-14)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,22,26)
InChIKey
KUPXRKWIUPAGNK-UHFFFAOYSA-N
Synonyms
1005689-10-0
1005689100
4(1benzyl1Hpyrazol4yl)5((4bromo5methyl1Hpyrazol1yl)methyl)4H124triazole3thiol
4(1benzylpyrazol4yl)3((4bromo5methylpyrazol1yl)methyl)1H124triazole5thione
CC1=C(C=NN1CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)Br
InChI=1SC17H16BrN7Sc11215(18)82024(12)1116212217(26)25(16)1471923(1014)9135324613h2810H911H21H3(H2226)
MFCD04138004
ZINC000002809498
ZINC02809498
ZINC2809498

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Available files

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