Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-{4-methoxy-3-[(naphthalen-2-yloxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306623
SMILES COc1ccc(cc1COc1ccc2c(c1)cccc2)/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 C22H18F2N4O2S MW 440.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N4O2S/c1-29-19-9-6-14(12-25-28-21(20(23)24)26-27-22(28)31)10-17(19)13-30-18-8-7-15-4-2-3-5-16(15)11-18/h2-12,20H,13H2,1H3,(H,27,31)/b25-12+InChIKey
DFAUTIDWMLWHAC-BRJLIKDPSA-NSynonyms
828281-61-43(difluoromethyl)4((E)(4methoxy3(naphthalen2yloxymethyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((naphthalen2yloxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
828281614
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC4=CC=CC=C4C=C3
COc1ccc(cc1COc1ccc2c(c1)cccc2)C=Nn1c(S)nnc1C(F)F
InChI=1SC22H18F2N4O2Sc129199614(12252821(20(23)24)262722(28)31)1017(19)1330188715423516(15)1118h21220H13H21H3(H2731)b2512+
MFCD04047827
ZINC000002791306
ZINC2791305
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