Vitas-M small molecule compound
8-bromo-5'-methyl-2'-phenyl-3-(pyrimidin-2-yl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437338
SMILES Brc1ccc2c(c1)CC1(C3N2CCN(C3)c2ncccn2)C(=NN(C1=O)c1ccccc1)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 C25H23BrN6O MW 503.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN6O/c1-17-25(23(33)32(29-17)20-6-3-2-4-7-20)15-18-14-19(26)8-9-21(18)31-13-12-30(16-22(25)31)24-27-10-5-11-28-24/h2-11,14,22H,12-13,15-16H2,1H3InChIKey
XZHKFTRNROCOPK-UHFFFAOYSA-NSynonyms
8bromo5methyl2phenyl3(pyrimidin2yl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
8bromo5methyl2phenyl3pyrimidin2ylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)Br)N4C2CN(CC4)C5=NC=CC=N5)C6=CC=CC=C6
InChI=1SC25H23BrN6Oc11725(23(33)32(2917)206324720)15181419(26)8921(18)31131230(1622(25)31)2427105112824h2111422H12131516H21H3
MFCD09992081
ZINC000025184557
ZINC000103405412
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