Vitas-M small molecule compound
4-{[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306566
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/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 C18H15BrF2N4O2S MW 469.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrF2N4O2S/c1-26-15-7-2-11(9-22-25-17(16(20)21)23-24-18(25)28)8-12(15)10-27-14-5-3-13(19)4-6-14/h2-9,16H,10H2,1H3,(H,24,28)/b22-9+InChIKey
PWIYMEWGYPWWPC-LSFURLLWSA-NSynonyms
828280-94-04(((E)(3((4bromophenoxy)methyl)4methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(3((4bromophenoxy)methyl)4methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828280940
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC=C(C=C3)Br
COc1ccc(cc1COc1ccc(cc1)Br)C=Nn1c(S)nnc1C(F)F
InChI=1SC18H15BrF2N4O2Sc126157211(9222517(16(20)21)232418(25)28)812(15)1027145313(19)4614h2916H10H21H3(H2428)b229+
MFCD04047831
ZINC000002791125
ZINC2791124
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