Vitas-M small molecule compound

3'-benzyl-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
STL437388
SMILES Brc1ccc2c(c1)CC1(C3N2CCC(C3)Cc2ccccc2)C(=NN(C1=O)c1ccc(cc1)Cl)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 C29H27BrClN3O MW 548.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrClN3O/c1-19-29(28(35)34(32-19)25-10-8-24(31)9-11-25)18-22-17-23(30)7-12-26(22)33-14-13-21(16-27(29)33)15-20-5-3-2-4-6-20/h2-12,17,21,27H,13-16,18H2,1H3
InChIKey
LSXBBHUSFATCBI-UHFFFAOYSA-N
Synonyms

3benzyl8bromo2(4chlorophenyl)5methyl2344atetrahydro1H6Hspiro(pyrazole45pyrido(12a)quinolin)3(2H)one
3benzyl8bromo2(4chlorophenyl)5methylspiro(12344a6hexahydrobenzo(c)quinolizine54pyrazole)3one
CC1=NN(C(=O)C12CC3=C(C=CC(=C3)Br)N4C2CC(CC4)CC5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC29H27BrClN3Oc11929(28(35)34(3219)2510824(31)91125)18221723(30)71226(22)33141321(1627(29)33)15205324620h212172127H131618H21H3
MFCD09992130
ZINC000101391740
ZINC000248020275

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Available files

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