Vitas-M small molecule compound
methyl 4-[(E)-{[3-(2-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK587451
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F
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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 C17H13FN4O2S MW 356.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13FN4O2S/c1-24-16(23)12-8-6-11(7-9-12)10-19-22-15(20-21-17(22)25)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,21,25)/b19-10+InChIKey
VVQYHKUGBRTSGK-VXLYETTFSA-NSynonyms
573695-17-7573695177
COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3F
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccccc1F
InChI=1SC17H13FN4O2Sc12416(23)128611(7912)10192215(202117(22)25)13423514(13)18h210H1H3(H2125)b1910+
METHYL4(((3(2FLUOROPHENYL)5THIOXO1H124TRIAZOL4(5H)YL)IMINO)METHYL)BENZOATE
METHYL4((1E)2(5(2FLUOROPHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOATE
methyl4((E)((3(2fluorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3(2FLUOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD07203848
ZINC000005432713
ZINC731703
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