Vitas-M small molecule compound
methyl 2-({5-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxybenzyl}oxy)benzoate
Catalog ID
STL177263
SMILES COc1ccc(cc1COc1ccccc1C(=O)OC)/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 C20H18F2N4O4S MW 448.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F2N4O4S/c1-28-15-8-7-12(10-23-26-18(17(21)22)24-25-20(26)31)9-13(15)11-30-16-6-4-3-5-14(16)19(27)29-2/h3-10,17H,11H2,1-2H3,(H,25,31)/b23-10+InChIKey
MCOIAFLQRUGJHO-AUEPDCJTSA-NSynonyms
828287-16-7828287167
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC=CC=C3C(=O)OC
COc1ccc(cc1COc1ccccc1C(=O)OC)C=Nn1c(S)nnc1C(F)F
InChI=1SC20H18F2N4O4Sc128158712(10232618(17(21)22)242520(26)31)913(15)113016643514(16)19(27)292h31017H11H212H3(H2531)b2310+
methyl2((5((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)2methoxybenzyl)oxy)benzoate
methyl2((5((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)2methoxyphenyl)methoxy)benzoate
MFCD04052573
ZINC000002792433
ZINC2792432
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