Vitas-M small molecule compound
methyl 5-({2-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-methoxyphenoxy}methyl)furan-2-carboxylate
Catalog ID
STL173783
SMILES COc1cccc(c1OCc1ccc(o1)C(=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 C18H16F2N4O5S MW 438.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F2N4O5S/c1-26-12-5-3-4-10(8-21-24-16(15(19)20)22-23-18(24)30)14(12)28-9-11-6-7-13(29-11)17(25)27-2/h3-8,15H,9H2,1-2H3,(H,23,30)/b21-8+InChIKey
OLPOVKZGLQGZHG-ODCIPOBUSA-NSynonyms
828290-35-3828290353
COC1=CC=CC(=C1OCC2=CC=C(O2)C(=O)OC)C=NN3C(=NNC3=S)C(F)F
COc1cccc(c1OCc1ccc(o1)C(=O)OC)C=Nn1c(S)nnc1C(F)F
InChI=1SC18H16F2N4O5Sc1261253410(8212416(15(19)20)222318(24)30)14(12)289116713(2911)17(25)272h3815H9H212H3(H2330)b218+
methyl5((2((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)6methoxyphenoxy)methyl)furan2carboxylate
methyl5((2((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)6methoxyphenoxy)methyl)furan2carboxylate
MFCD04047844
ZINC000002793173
ZINC2793172
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