Vitas-M small molecule compound
2-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}methyl)-4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid
Catalog ID
STL162177
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)Cc1c(C)noc1C)Nc1cccc(c1)C(F)(F)F
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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 C22H27F3N4O4 MW 468.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27F3N4O4/c1-14-19(15(2)33-27-14)13-29-8-6-28(7-9-29)12-16(21(31)32)10-20(30)26-18-5-3-4-17(11-18)22(23,24)25/h3-5,11,16H,6-10,12-13H2,1-2H3,(H,26,30)(H,31,32)InChIKey
GTWBFFLKVYPZOB-UHFFFAOYSA-NSynonyms
1324095-13-71324095137
2((4((35dimethyl12oxazol4yl)methyl)piperazin1yl)methyl)4oxo4((3(trifluoromethyl)phenyl)amino)butanoicacid
2((4((35dimethyl12oxazol4yl)methyl)piperazin1yl)methyl)4oxo4(3(trifluoromethyl)anilino)butanoicacid
2((4((35dimethylisoxazol4yl)methyl)piperazin1yl)methyl)4oxo4((3(trifluoromethyl)phenyl)amino)butanoicacid
CC1=C(C(=NO1)C)CN2CCN(CC2)CC(CC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O
InChI=1SC22H27F3N4O4c11419(15(2)332714)13298628(7929)1216(21(31)32)1020(30)261853417(1118)22(2324)25h351116H6101213H212H3(H2630)(H3132)
MFCD19708604
ZINC000071279919
ZINC000071279920
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