Vitas-M small molecule compound
8'-bromo-2-(4-chlorophenyl)-5-methyl-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[pyrazole-4,5'-pyrido[1,2-a]quinolin]-3(2H)-one
Catalog ID
STL437386
SMILES Clc1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(Br)ccc1N1C2CCCC1)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 C22H21BrClN3O MW 458.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrClN3O/c1-14-22(21(28)27(25-14)18-8-6-17(24)7-9-18)13-15-12-16(23)5-10-19(15)26-11-3-2-4-20(22)26/h5-10,12,20H,2-4,11,13H2,1H3InChIKey
DFQKDNHRHDLHSE-UHFFFAOYSA-NSynonyms
8bromo2(4chlorophenyl)5methyl2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)3(2H)one
8bromo2(4chlorophenyl)5methylspiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)Br)N4C2CCCC4)C5=CC=C(C=C5)Cl
InChI=1SC22H21BrClN3Oc11422(21(28)27(2514)188617(24)7918)13151216(23)51019(15)261132420(22)26h5101220H241113H21H3
MFCD09992128
ZINC000025184812
ZINC000247996874
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