Vitas-M small molecule compound
3-benzyl-5'-methyl-2'-(4-methylphenyl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-3'(2'H)-one
Catalog ID
STL437353
SMILES Cc1ccc(cc1)N1N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1)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 C29H30N4O MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O/c1-21-12-14-25(15-13-21)33-28(34)29(22(2)30-33)18-24-10-6-7-11-26(24)32-17-16-31(20-27(29)32)19-23-8-4-3-5-9-23/h3-15,27H,16-20H2,1-2H3InChIKey
CGWGCMAVZSROKA-UHFFFAOYSA-NSynonyms
3benzyl5methyl2(4methylphenyl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)3(2H)one
3benzyl5methyl2(4methylphenyl)spiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CN(CC5)CC6=CC=CC=C6)C(=N2)C
InChI=1SC29H30N4Oc121121425(151321)3328(34)29(22(2)3033)182410671126(24)32171631(2027(29)32)19238435923h31527H1620H212H3
MFCD09992096
ZINC000033428970
ZINC000247994477
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