Vitas-M small molecule compound
methyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757569
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)c1ccc(cc1)S(=O)(=O)N
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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 C25H26BrN3O5S MW 560.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O5S/c1-25(2)12-18-21(19(30)13-25)20(14-4-6-15(26)7-5-14)22(24(31)34-3)23(27)29(18)16-8-10-17(11-9-16)35(28,32)33/h4-11,20H,12-13,27H2,1-3H3,(H2,28,32,33)InChIKey
GQFMSLFZGATROV-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI=1SC25H26BrN3O5Sc125(2)121821(19(30)1325)20(144615(26)7514)22(24(31)343)23(27)29(18)1681017(11916)35(2832)33h41120H121327H213H3(H2283233)
methyl2amino4(4bromophenyl)77dimethyl5oxo1(4sulfamoylphenyl)145678hexahydroquinoline3carboxylate
METHYL2AMINO4(4BROMOPHENYL)77DIMETHYL5OXO1(4SULFAMOYLPHENYL)68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01306149
ZINC000001436675
ZINC000001436676
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