Vitas-M small molecule compound
2-[({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL365344
SMILES O=C(Nc1ccccc1C(=O)O)CSc1nnc(n1c1ccccc1)c1cc2c(o1)cccc2
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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 C25H18N4O4S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O4S/c30-22(26-19-12-6-5-11-18(19)24(31)32)15-34-25-28-27-23(29(25)17-9-2-1-3-10-17)21-14-16-8-4-7-13-20(16)33-21/h1-14H,15H2,(H,26,30)(H,31,32)InChIKey
ZPXFKIZWRXDNSB-UHFFFAOYSA-NSynonyms
2((((5(1benzofuran2yl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
2((2((5(1benzofuran2yl)4phenyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)O)C4=CC5=CC=CC=C5O4
InChI=1SC25H18N4O4Sc3022(261912651118(19)24(31)32)153425282723(29(25)1792131017)2114168471320(16)3321h114H15H2(H2630)(H3132)
MFCD09476100
ZINC000015018884
ZINC15018884
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