Vitas-M small molecule compound

5-(2-bromophenyl)-4-{[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK585639
SMILES Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(C)nn(c1C)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 C20H17BrN6S MW 453.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN6S/c1-13-17(14(2)26(25-13)15-8-4-3-5-9-15)12-22-27-19(23-24-20(27)28)16-10-6-7-11-18(16)21/h3-12H,1-2H3,(H,24,28)/b22-12+
InChIKey
ZUBIFYNBSVHUMT-WSDLNYQXSA-N
Synonyms
955857-93-9
955857939
Brc1ccccc1c1n(nH)c(=S)n1N=Cc1c(C)nn(c1C)c1ccccc1
MFCD07202639
ZINC000015979089

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Available files

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