Vitas-M small molecule compound
3'-benzyl-8'-bromo-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
STL437359
SMILES Brc1ccc2c(c1)CC1(C3N2CCC(C3)Cc2ccccc2)C(=NN(C1=O)c1ccc(cc1)C)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 C30H30BrN3O MW 528.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30BrN3O/c1-20-8-11-26(12-9-20)34-29(35)30(21(2)32-34)19-24-18-25(31)10-13-27(24)33-15-14-23(17-28(30)33)16-22-6-4-3-5-7-22/h3-13,18,23,28H,14-17,19H2,1-2H3InChIKey
DPRWSXHDJMCPRM-UHFFFAOYSA-NSynonyms
3benzyl8bromo5methyl2(4methylphenyl)2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)3(2H)one
3benzyl8bromo5methyl2(4methylphenyl)spiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)3one
CC1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)Br)N5C3CC(CC5)CC6=CC=CC=C6)C(=N2)C
InChI=1SC30H30BrN3Oc12081126(12920)3429(35)30(21(2)3234)19241825(31)101327(24)33151423(1728(30)33)16226435722h313182328H141719H212H3
MFCD09992102
ZINC000033428990
ZINC000247998137
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