Vitas-M small molecule compound
[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
Catalog ID
STK959322
SMILES Cc1ccc(cc1)c1cc(n2c(n1)c(Cl)c(n2)C(=O)N1CCN2C(C1)CCC2)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 C22H21ClF3N5O MW 463.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClF3N5O/c1-13-4-6-14(7-5-13)16-11-17(22(24,25)26)31-20(27-16)18(23)19(28-31)21(32)30-10-9-29-8-2-3-15(29)12-30/h4-7,11,15H,2-3,8-10,12H2,1H3InChIKey
CFEGBTRWZQSXOQ-UHFFFAOYSA-NSynonyms
438531-35-2(3chloro5(4methylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)(hexahydropyrrolo(12a)pyrazin2(1H)yl)methanone
346788ahexahydro1Hpyrrolo(12a)pyrazin2yl(3chloro5(4methylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
438531352
CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCN5CCCC5C4)Cl
InChI=1SC22H21ClF3N5Oc1134614(7513)161117(22(2425)26)3120(2716)18(23)19(2831)21(32)301092982315(29)1230h471115H2381012H21H3
MFCD02055847
ZINC000002755804
ZINC000002755805
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