Vitas-M small molecule compound
4-{[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307204
SMILES COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/n1cnnc1S
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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 C16H17BrN6OS MW 421.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN6OS/c1-10-15(17)11(2)22(21-10)8-13-6-12(4-5-14(13)24-3)7-19-23-9-18-20-16(23)25/h4-7,9H,8H2,1-3H3,(H,20,25)/b19-7+InChIKey
JFZPNPSKXICEED-FBCYGCLPSA-NSynonyms
1005588-36-21005588362
4(((E)(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
4((E)(3((4bromo35dimethylpyrazol1yl)methyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C=NNC3=S)OC)C)Br
COc1ccc(cc1Cn1nc(c(c1C)Br)C)C=Nn1cnnc1S
InChI=1SC16H17BrN6OSc11015(17)11(2)22(2110)813612(4514(13)243)719239182016(23)25h479H8H213H3(H2025)b197+
MFCD04053748
ZINC000002793188
ZINC2793187
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