Vitas-M small molecule compound
methyl 5-({3-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}methyl)furan-2-carboxylate
Catalog ID
STK307145
SMILES COC(=O)c1ccc(o1)COc1cccc(c1)/C=N/n1c(SC)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 C18H16F2N4O4S MW 422.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F2N4O4S/c1-26-17(25)14-7-6-13(28-14)10-27-12-5-3-4-11(8-12)9-21-24-16(15(19)20)22-23-18(24)29-2/h3-9,15H,10H2,1-2H3/b21-9+InChIKey
PFOKHIZEEJVFEQ-ZVBGSRNCSA-NSynonyms
828288-28-4828288284
COC(=O)C1=CC=C(O1)COC2=CC=CC(=C2)C=NN3C(=NN=C3SC)C(F)F
COC(=O)c1ccc(o1)COc1cccc(c1)C=Nn1c(SC)nnc1C(F)F
InChI=1SC18H16F2N4O4Sc12617(25)147613(2814)10271253411(812)9212416(15(19)20)222318(24)292h3915H10H212H3b219+
methyl5((3((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((3((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04049721
ZINC000002792755
ZINC2792754
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