Vitas-M small molecule compound
4-{[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307450
SMILES COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/n1c(S)nnc1C(F)F
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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 C17H17BrF2N6OS MW 471.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrF2N6OS/c1-9-14(18)10(2)25(24-9)8-12-6-11(4-5-13(12)27-3)7-21-26-16(15(19)20)22-23-17(26)28/h4-7,15H,8H2,1-3H3,(H,23,28)/b21-7+InChIKey
WMSOFRSVESJTOW-QPSGOUHRSA-NSynonyms
1005686-15-61005686156
4(((E)(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(3((4bromo35dimethylpyrazol1yl)methyl)4methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C(F)F)OC)C)Br
COc1ccc(cc1Cn1nc(c(c1C)Br)C)C=Nn1c(S)nnc1C(F)F
InChI=1SC17H17BrF2N6OSc1914(18)10(2)25(249)812611(4513(12)273)7212616(15(19)20)222317(26)28h4715H8H213H3(H2328)b217+
MFCD04047889
ZINC000002793669
ZINC33523450
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