Vitas-M small molecule compound
4-[(E)-{[3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STL055893
SMILES Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O
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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 C16H11FN4O2S MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11FN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+InChIKey
RFEPNBQYUDXYIE-GIJQJNRQSA-NSynonyms
577997-10-54(((3(4FLUOROPHENYL)5THIOXO1H124TRIAZOL4(5H)YL)IMINO)METHYL)BENZOICACID
4((1E)2(5(4FLUOROPHENYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOICACID
4((E)((3(4fluorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3(4FLUOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
577997105
C1=CC(=CC=C1C=NN2C(=NNC2=S)C3=CC=C(C=C3)F)C(=O)O
Fc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(cc1)C(=O)O
InChI=1SC16H11FN4O2Sc17137511(6813)14192016(24)21(14)189101312(4210)15(22)23h19H(H2024)(H2223)b189+
MFCD05725534
ZINC000001283136
ZINC1283135
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