Vitas-M small molecule compound
3-[({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK117095
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1c1ccc(cc1)C
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-24-18(14-9-7-13(2)8-10-14)22-23-20(24)28-12-17(25)21-16-6-4-5-15(11-16)19(26)27/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27)InChIKey
QDRPEESABGRRDK-UHFFFAOYSA-NSynonyms
3((((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C
InChI=1SC20H20N4O3Sc132418(149713(2)81014)222320(24)281217(25)211664515(1116)19(26)27h411H312H212H3(H2125)(H2627)
MFCD08671319
ZINC000004690938
ZINC4690938
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