Vitas-M small molecule compound
methyl 5-({2-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}methyl)furan-2-carboxylate
Catalog ID
STK307253
SMILES COC(=O)c1ccc(o1)COc1ccccc1/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 C17H14F2N4O4S MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F2N4O4S/c1-25-16(24)13-7-6-11(27-13)9-26-12-5-3-2-4-10(12)8-20-23-15(14(18)19)21-22-17(23)28/h2-8,14H,9H2,1H3,(H,22,28)/b20-8+InChIKey
JCEKUPYCTNAZBU-DNTJNYDQSA-NSynonyms
828290-74-0828290740
COC(=O)C1=CC=C(O1)COC2=CC=CC=C2C=NN3C(=NNC3=S)C(F)F
COC(=O)c1ccc(o1)COc1ccccc1C=Nn1c(S)nnc1C(F)F
InChI=1SC17H14F2N4O4Sc12516(24)137611(2713)92612532410(12)8202315(14(18)19)212217(23)28h2814H9H21H3(H2228)b208+
methyl5((2((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((2((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04047838
ZINC000002793292
ZINC33580369
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