Vitas-M small molecule compound
methyl 4-[(E)-{[3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK592887
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)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 C17H13FN4O2S MW 356.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13FN4O2S/c1-24-16(23)13-4-2-11(3-5-13)10-19-22-15(20-21-17(22)25)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,21,25)/b19-10+InChIKey
UTINKGMTKURPKM-VXLYETTFSA-NSynonyms
578746-67-5578746675
COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)F
COC(=O)c1ccc(cc1)C=Nn1c(n(nH)c1=S)c1ccc(cc1)F
InChI=1SC17H13FN4O2Sc12416(23)134211(3513)10192215(202117(22)25)126814(18)9712h210H1H3(H2125)b1910+
METHYL4(((3(4FLUOROPHENYL)5THIOXO1H124TRIAZOL4(5H)YL)IMINO)METHYL)BENZOATE
METHYL4((1E)2(5(4FLUOROPHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOATE
methyl4((E)((3(4fluorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
methyl4((E)(3(4fluorophenyl)5sulfanylidene1H124triazol4yl)iminomethyl)benzoate
MFCD07203879
ZINC000007712396
ZINC38195896
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