Vitas-M small molecule compound
methyl 5-({3-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}methyl)furan-2-carboxylate
Catalog ID
STK307409
SMILES COC(=O)c1ccc(o1)COc1cccc(c1)/C=N/n1c(S)nnc1C(F)(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 C17H13F3N4O4S MW 426.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N4O4S/c1-26-14(25)13-6-5-12(28-13)9-27-11-4-2-3-10(7-11)8-21-24-15(17(18,19)20)22-23-16(24)29/h2-8H,9H2,1H3,(H,23,29)/b21-8+InChIKey
KELJEKSPMBIBID-ODCIPOBUSA-NSynonyms
828291-99-2828291992
COC(=O)C1=CC=C(O1)COC2=CC=CC(=C2)C=NN3C(=NNC3=S)C(F)(F)F
COC(=O)c1ccc(o1)COc1cccc(c1)C=Nn1c(S)nnc1C(F)(F)F
InChI=1SC17H13F3N4O4Sc12614(25)136512(2813)9271142310(711)8212415(17(1819)20)222316(24)29h28H9H21H3(H2329)b218+
methyl5((3((E)((3sulfanyl5(trifluoromethyl)4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((3((E)(5sulfanylidene3(trifluoromethyl)1H124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04056706
ZINC000002793596
ZINC2793595
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