Vitas-M small molecule compound

3'-benzyl-5-methyl-2-(4-methylphenyl)-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[pyrazole-4,5'-pyrido[1,2-a]quinolin]-3(2H)-one

Catalog ID
STL437348
SMILES Cc1ccc(cc1)N1N=C(C2(C1=O)Cc1ccccc1N1C2CC(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 C30H31N3O MW 449.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O/c1-21-12-14-26(15-13-21)33-29(34)30(22(2)31-33)20-25-10-6-7-11-27(25)32-17-16-24(19-28(30)32)18-23-8-4-3-5-9-23/h3-15,24,28H,16-20H2,1-2H3
InChIKey
ZRJAPVMBHCFTAR-UHFFFAOYSA-N
Synonyms

3benzyl5methyl2(4methylphenyl)2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)3(2H)one
3benzyl5methyl2(4methylphenyl)spiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
InChI=1SC30H31N3Oc121121426(151321)3329(34)30(22(2)3133)202510671127(25)32171624(1928(30)32)18238435923h3152428H1620H212H3
MFCD09992091
ZINC000025184678
ZINC000248059808

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Available files

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