Vitas-M small molecule compound
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
Catalog ID
STK196432
SMILES O=C1CC(C(=O)N1c1ccc(c(c1)C(F)(F)F)Cl)N1CCN(CC1)c1nc(C)cc(n1)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 C21H21ClF3N5O2 MW 467.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClF3N5O2/c1-12-9-13(2)27-20(26-12)29-7-5-28(6-8-29)17-11-18(31)30(19(17)32)14-3-4-16(22)15(10-14)21(23,24)25/h3-4,9-10,17H,5-8,11H2,1-2H3InChIKey
ABDJZRUSEMVHPE-UHFFFAOYSA-NSynonyms
1(4CHLORO3(TRIFLUOROMETHYL)PHENYL)3(4(46DIMETHYLPYRIMIDIN2YL)PIPERAZIN1YL)PYRROLIDINE25DIONE
CC1=CC(=NC(=N1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F)C
InChI=1SC21H21ClF3N5O2c112913(2)2720(2612)297528(6829)171118(31)30(19(17)32)143416(22)15(1014)21(2324)25h3491017H5811H212H3
MFCD06617733
ZINC000012363581
ZINC000100205921
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