Vitas-M small molecule compound
5'-methyl-2'-(4-methylphenyl)-3-(pyrimidin-2-yl)-8-(trifluoromethyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437367
SMILES Cc1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)c1ncccn1)C(F)(F)F)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 C27H25F3N6O MW 506.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N6O/c1-17-4-7-21(8-5-17)36-24(37)26(18(2)33-36)15-19-14-20(27(28,29)30)6-9-22(19)35-13-12-34(16-23(26)35)25-31-10-3-11-32-25/h3-11,14,23H,12-13,15-16H2,1-2H3InChIKey
NUKKHZMSYZVLLN-UHFFFAOYSA-NSynonyms
5methyl2(4methylphenyl)3(pyrimidin2yl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
5methyl2(4methylphenyl)3pyrimidin2yl8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CN(CC5)C6=NC=CC=N6)C(=N2)C
InChI=1SC27H25F3N6Oc1174721(8517)3624(37)26(18(2)3336)15191420(27(2829)30)6922(19)35131234(1623(26)35)2531103113225h3111423H12131516H212H3
MFCD09992110
ZINC000033429001
ZINC000248026101
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