Vitas-M small molecule compound
4-{[(E)-{3-[(2-benzylphenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173877
SMILES COc1ccc(cc1COc1ccccc1Cc1ccccc1)/C=N/n1c(S)nnc1C(F)(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 C25H21F3N4O2S MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N4O2S/c1-33-21-12-11-18(15-29-32-23(25(26,27)28)30-31-24(32)35)14-20(21)16-34-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14-15H,13,16H2,1H3,(H,31,35)/b29-15+InChIKey
XUMDGQFHRDEMLA-WKULSOCRSA-NSynonyms
828284-04-44(((E)(3((2benzylphenoxy)methyl)4methoxyphenyl)methylidene)amino)5(trifluoromethyl)4H124triazole3thiol
4((E)(3((2benzylphenoxy)methyl)4methoxyphenyl)methylideneamino)3(trifluoromethyl)1H124triazole5thione
828284044
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)(F)F)COC3=CC=CC=C3CC4=CC=CC=C4
COc1ccc(cc1COc1ccccc1Cc1ccccc1)C=Nn1c(S)nnc1C(F)(F)F
InChI=1SC25H21F3N4O2Sc13321121118(15293223(25(2627)28)303124(32)35)1420(21)1634221065919(22)13177324817h2121415H1316H21H3(H3135)b2915+
MFCD04056463
ZINC000002791692
ZINC2791691
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