Vitas-M small molecule compound

2'-(4-chlorophenyl)-5'-methyl-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
STL437400
SMILES Clc1ccc(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 C26H22ClF3N6O MW 526.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClF3N6O/c1-16-25(23(37)36(33-16)20-6-4-19(27)5-7-20)14-17-13-18(26(28,29)30)3-8-21(17)35-12-11-34(15-22(25)35)24-31-9-2-10-32-24/h2-10,13,22H,11-12,14-15H2,1H3
InChIKey
IXMFCGISHNRPLY-UHFFFAOYSA-N
Synonyms

2(4chlorophenyl)5methyl3(pyrimidin2yl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
2(4chlorophenyl)5methyl3pyrimidin2yl8(trifluoromethyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)C(F)(F)F)N4C2CN(CC4)C5=NC=CC=N5)C6=CC=C(C=C6)Cl
InChI=1SC26H22ClF3N6Oc11625(23(37)36(3316)206419(27)5720)14171318(26(2829)30)3821(17)35121134(1522(25)35)243192103224h2101322H11121415H21H3
MFCD09992142
ZINC000101391697
ZINC000248010781

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Available files

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