Vitas-M small molecule compound
3-[({[5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182127
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)c1ccccc1F
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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 C18H15FN4O3S MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15FN4O3S/c1-23-16(13-7-2-3-8-14(13)19)21-22-18(23)27-10-15(24)20-12-6-4-5-11(9-12)17(25)26/h2-9H,10H2,1H3,(H,20,24)(H,25,26)InChIKey
RWAUAQWJGOMCGC-UHFFFAOYSA-NSynonyms
3((((5(2fluorophenyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(2fluorophenyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3F
InChI=1SC18H15FN4O3Sc12316(13723814(13)19)212218(23)271015(24)201264511(912)17(25)26h29H10H21H3(H2024)(H2526)
MFCD22125408
ZINC000013346394
ZINC13346394
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