Vitas-M small molecule compound
methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK758500
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)c1ccccc1F
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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 C25H24BrFN2O3 MW 499.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrFN2O3/c1-25(2)12-18-21(19(30)13-25)20(14-8-10-15(26)11-9-14)22(24(31)32-3)23(28)29(18)17-7-5-4-6-16(17)27/h4-11,20H,12-13,28H2,1-3H3InChIKey
KZTHAXPIIOBODW-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI=1SC25H24BrFN2O3c125(2)121821(19(30)1325)20(1481015(26)11914)22(24(31)323)23(28)29(18)17754616(17)27h41120H121328H213H3
methyl2amino4(4bromophenyl)1(2fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carboxylate
METHYL2AMINO4(4BROMOPHENYL)1(2FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD02110057
ZINC000003666722
ZINC000003666723
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