Vitas-M small molecule compound
4-({5-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxybenzyl}oxy)benzonitrile
Catalog ID
STK306452
SMILES N#Cc1ccc(cc1)OCc1cc(ccc1OC)/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 C19H15F2N5O2S MW 415.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F2N5O2S/c1-27-16-7-4-13(10-23-26-18(17(20)21)24-25-19(26)29)8-14(16)11-28-15-5-2-12(9-22)3-6-15/h2-8,10,17H,11H2,1H3,(H,25,29)/b23-10+InChIKey
CRAJLKBREADAAO-AUEPDCJTSA-NSynonyms
828279-75-04((5((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)2methoxybenzyl)oxy)benzonitrile
4((5((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)2methoxyphenyl)methoxy)benzonitrile
828279750
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC=C(C=C3)C#N
InChI=1SC19H15F2N5O2Sc127167413(10232618(17(20)21)242519(26)29)814(16)1128155212(922)3615h281017H11H21H3(H2529)b2310+
MFCD04047880
N#Cc1ccc(cc1)OCc1cc(ccc1OC)C=Nn1c(S)nnc1C(F)F
ZINC000002790373
ZINC2790372
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