Vitas-M small molecule compound
3-({[(4-ethyl-5-{1-[(2-methoxyphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL182570
SMILES COc1ccccc1NC(c1nnc(n1CC)SCC(=O)Nc1cccc(c1)C(=O)O)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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c1-4-27-20(14(2)23-17-10-5-6-11-18(17)31-3)25-26-22(27)32-13-19(28)24-16-9-7-8-15(12-16)21(29)30/h5-12,14,23H,4,13H2,1-3H3,(H,24,28)(H,29,30)InChIKey
QSIMKTVYFUKYIN-UHFFFAOYSA-NSynonyms
3((((4ethyl5(1((2methoxyphenyl)amino)ethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5(1(2methoxyanilino)ethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C(C)NC3=CC=CC=C3OC
InChI=1SC22H25N5O4Sc142720(14(2)231710561118(17)313)252622(27)321319(28)241697815(1216)21(29)30h5121423H413H213H3(H2428)(H2930)
MFCD22125423
ZINC000072191494
ZINC000072191495
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