Vitas-M small molecule compound

[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone

Catalog ID
STK961353
SMILES COc1ccc(cc1)c1cc(C(F)F)n2c(n1)c(cn2)C(=O)N1CCN2C(C1)CCC2

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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 C22H23F2N5O2 MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F2N5O2/c1-31-16-6-4-14(5-7-16)18-11-19(20(23)24)29-21(26-18)17(12-25-29)22(30)28-10-9-27-8-2-3-15(27)13-28/h4-7,11-12,15,20H,2-3,8-10,13H2,1H3
InChIKey
OTTXTXCDQWKBEW-UHFFFAOYSA-N
Synonyms
445238-11-9
(7(difluoromethyl)5(4methoxyphenyl)pyrazolo(15a)pyrimidin3yl)(hexahydropyrrolo(12a)pyrazin2(1H)yl)methanone
(7DIFLUOROMETHYL5(4METHOXYPHENYL)PYRAZOLO(15A)PYRIMIDIN3YL)(HEXAHYDROPYRROLO(12A)PYRAZIN2YL)METHANONE
346788ahexahydro1Hpyrrolo(12a)pyrazin2yl(7(difluoromethyl)5(4methoxyphenyl)pyrazolo(15a)pyrimidin3yl)methanone
445238119
COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN5CCCC5C4
InChI=1SC22H23F2N5O2c131166414(5716)181119(20(23)24)2921(2618)17(122529)22(30)281092782315(27)1328h4711121520H2381013H21H3
MFCD02373727
ZINC000000815399
ZINC000000815400

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Available files

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