Vitas-M small molecule compound
4'-methyl-2'-(4-methylpiperazin-1-yl)-2-{[3-(trifluoromethyl)phenyl]amino}-4,5'-bipyrimidin-6(1H)-one
Catalog ID
STK514129
SMILES CN1CCN(CC1)c1ncc(c(n1)C)c1cc(=O)[nH]c(n1)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 C21H22F3N7O MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N7O/c1-13-16(12-25-20(26-13)31-8-6-30(2)7-9-31)17-11-18(32)29-19(28-17)27-15-5-3-4-14(10-15)21(22,23)24/h3-5,10-12H,6-9H2,1-2H3,(H2,27,28,29,32)InChIKey
JNNACVUCZVREMW-UHFFFAOYSA-NSynonyms
4methyl2(4methylpiperazin1yl)2((3(trifluoromethyl)phenyl)amino)45bipyrimidin6(1H)one
6(4methyl2(4methylpiperazin1yl)pyrimidin5yl)2(3(trifluoromethyl)anilino)1Hpyrimidin4one
CC1=NC(=NC=C1C2=CC(=O)N=C(N2)NC3=CC=CC(=C3)C(F)(F)F)N4CCN(CC4)C
CN1CCN(CC1)c1ncc(c(n1)C)c1cc(=O)(nH)c(n1)Nc1cccc(c1)C(F)(F)F
InChI=1SC21H22F3N7Oc11316(122520(2613)318630(2)7931)171118(32)2919(2817)271553414(1015)21(2223)24h351012H69H212H3(H227282932)
MFCD13370605
ZINC000036235648
ZINC36235648
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