Vitas-M small molecule compound
4-[(3-hydroxyphenyl)amino]-4-oxo-2-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)butanoic acid
Catalog ID
STL155695
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)Nc1cccc(c1)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 C21H23F3N4O4 MW 452.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N4O4/c22-21(23,24)15-4-5-18(25-12-15)28-8-6-27(7-9-28)13-14(20(31)32)10-19(30)26-16-2-1-3-17(29)11-16/h1-5,11-12,14,29H,6-10,13H2,(H,26,30)(H,31,32)InChIKey
BFKKVRGQFBRCSA-UHFFFAOYSA-NSynonyms
1324086-22-71324086227
4((3hydroxyphenyl)amino)4oxo2((4(5(trifluoromethyl)pyridin2yl)piperazin1yl)methyl)butanoicacid
4(3hydroxyanilino)4oxo2((4(5(trifluoromethyl)pyridin2yl)piperazin1yl)methyl)butanoicacid
C1CN(CCN1CC(CC(=O)NC2=CC(=CC=C2)O)C(=O)O)C3=NC=C(C=C3)C(F)(F)F
InChI=1SC21H23F3N4O4c2221(2324)154518(251215)288627(7928)1314(20(31)32)1019(30)261621317(29)1116h1511121429H61013H2(H2630)(H3132)
MFCD19709489
ZINC000071281855
ZINC000071281857
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