Vitas-M small molecule compound
3'-benzyl-5-methyl-2-(4-methylphenyl)-8'-(trifluoromethyl)-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[pyrazole-4,5'-pyrido[1,2-a]quinolin]-3(2H)-one
Catalog ID
STL437365
SMILES Cc1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(ccc1N1C2CC(CC1)Cc1ccccc1)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 C31H30F3N3O MW 517.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30F3N3O/c1-20-8-11-26(12-9-20)37-29(38)30(21(2)35-37)19-24-18-25(31(32,33)34)10-13-27(24)36-15-14-23(17-28(30)36)16-22-6-4-3-5-7-22/h3-13,18,23,28H,14-17,19H2,1-2H3InChIKey
DXSWVVGJTBCZMW-UHFFFAOYSA-NSynonyms
3benzyl5methyl2(4methylphenyl)8(trifluoromethyl)2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)3(2H)one
3benzyl5methyl2(4methylphenyl)8(trifluoromethyl)spiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C(F)(F)F)N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
InChI=1SC31H30F3N3Oc12081126(12920)3729(38)30(21(2)3537)19241825(31(3233)34)101327(24)36151423(1728(30)36)16226435722h313182328H141719H212H3
MFCD09992108
ZINC000033428999
ZINC000247999310
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