Vitas-M small molecule compound
4-{[(E)-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306661
SMILES COc1ccc(cc1COc1cccc(c1)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/c1-26-15-6-5-11(9-22-25-17(16(20)21)23-24-18(25)28)7-12(15)10-27-14-4-2-3-13(19)8-14/h2-9,16H,10H2,1H3,(H,24,28)/b22-9+InChIKey
UZMMATNADODEJX-LSFURLLWSA-NSynonyms
828282-10-64(((E)(3((3bromophenoxy)methyl)4methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(3((3bromophenoxy)methyl)4methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828282106
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC(=CC=C3)Br
COc1ccc(cc1COc1cccc(c1)Br)C=Nn1c(S)nnc1C(F)F
InChI=1SC18H15BrF2N4O2Sc126156511(9222517(16(20)21)232418(25)28)712(15)10271442313(19)814h2916H10H21H3(H2428)b229+
MFCD04047903
ZINC000002791430
ZINC2791429
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