Vitas-M small molecule compound

hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Catalog ID
STK959004
SMILES O=C(c1nn2c(c1)nc(cc2C(F)(F)F)c1ccccc1)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 C21H20F3N5O MW 415.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O/c22-21(23,24)18-11-16(14-5-2-1-3-6-14)25-19-12-17(26-29(18)19)20(30)28-10-9-27-8-4-7-15(27)13-28/h1-3,5-6,11-12,15H,4,7-10,13H2
InChIKey
DKBNJAUUKBWPGF-UHFFFAOYSA-N
Synonyms
353775-46-9
(8AR)HEXAHYDROPYRROLO(12A)PYRAZIN2(1H)YL(5PHENYL7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
(8AS)HEXAHYDROPYRROLO(12A)PYRAZIN2(1H)YL(5PHENYL7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
346788ahexahydro1Hpyrrolo(12a)pyrazin2yl(5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
353775469
C1CC2CN(CCN2C1)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F
hexahydropyrrolo(12a)pyrazin2(1H)yl(5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
InChI=1SC21H20F3N5Oc2221(2324)181116(145213614)25191217(2629(18)19)20(30)281092784715(27)1328h1356111215H471013H2
MFCD01922581
ZINC000004199800
ZINC000004199801

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.