Vitas-M small molecule compound
4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STK533557
SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1F)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Br
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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 C29H23BrFN3O3 MW 560.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrFN3O3/c1-17-28(29(18-7-3-2-4-8-18)21-15-19(30)11-12-23(21)32-17)24-16-25(20-9-5-6-10-22(20)31)34(33-24)26(35)13-14-27(36)37/h2-12,15,25H,13-14,16H2,1H3,(H,36,37)InChIKey
RWAWTIUQQCPUPB-UHFFFAOYSA-NSynonyms
4(3(6bromo2methyl4phenylquinolin3yl)5(2fluorophenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(6BROMO2METHYL4PHENYLQUINOLIN3YL)3(2FLUOROPHENYL)34DIHYDROPYRAZOL2YL)4OXOBUTANOICACID
CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=CC=C5F)C(=O)CCC(=O)O
InChI=1SC29H23BrFN3O3c11728(29(187324818)211519(30)111223(21)3217)241625(209561022(20)31)34(3324)26(35)131427(36)37h2121525H131416H21H3(H3637)
MFCD02995934
ZINC000097999572
ZINC000097999573
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