Vitas-M small molecule compound
3-[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK116797
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)Nc1cccc(c1)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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-3-24-18(13-7-9-16(28-2)10-8-13)22-23-20(24)29-12-17(25)21-15-6-4-5-14(11-15)19(26)27/h4-11H,3,12H2,1-2H3,(H,21,25)(H,26,27)InChIKey
MNTSTIBWMJWRSG-UHFFFAOYSA-NSynonyms
3((((4ETHYL5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)OC
InChI=1SC20H20N4O4Sc132418(137916(282)10813)222320(24)291217(25)211564514(1115)19(26)27h411H312H212H3(H2125)(H2627)
MFCD03997184
ZINC000004690873
ZINC4690873
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