Vitas-M small molecule compound
3-[({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL364318
SMILES O=C(Nc1cccc(c1)C(=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(26-18-9-6-8-17(13-18)24(31)32)15-34-25-28-27-23(29(25)19-10-2-1-3-11-19)21-14-16-7-4-5-12-20(16)33-21/h1-14H,15H2,(H,26,30)(H,31,32)InChIKey
ANPMGJDEQBURJY-UHFFFAOYSA-NSynonyms
3((((5(1benzofuran2yl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(1benzofuran2yl)4phenyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC5=CC=CC=C5O4
InChI=1SC25H18N4O4Sc3022(261896817(1318)24(31)32)153425282723(29(25)19102131119)2114167451220(16)3321h114H15H2(H2630)(H3132)
MFCD09476108
ZINC000015018892
ZINC15018892
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