Vitas-M small molecule compound
methyl 4-[10-methyl-8-(pyridin-2-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]benzoate
Catalog ID
STL406959
SMILES COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccn1)c(Nc1cccc(c1)C(F)(F)F)nc1c2cccc1
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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 C33H24F3N7O2 MW 607.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24F3N7O2/c1-19-27-28(20-13-15-21(16-14-20)32(44)45-2)42-25-11-4-3-10-24(25)39-29(38-23-9-7-8-22(18-23)33(34,35)36)31(42)40-30(27)43(41-19)26-12-5-6-17-37-26/h3-18,28H,1-2H3,(H,38,39)InChIKey
MKLHOADULFXFEO-UHFFFAOYSA-NSynonyms
CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC(=C5)C(F)(F)F)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=N7
InChI=1SC33H24F3N7O2c1192728(20131521(161420)32(44)452)422511431024(25)3929(382397822(1823)33(3435)36)31(42)4030(27)43(4119)261256173726h31828H12H3(H3839)
methyl4(10methyl8(pyridin2yl)6((3(trifluoromethyl)phenyl)amino)811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)benzoate
MFCD03685536
ZINC000006149823
ZINC000006149853
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