Vitas-M small molecule compound
methyl 4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK960717
SMILES COC(=O)C1=C(C)NC2=C(C1c1cn(nc1c1ccccc1)Cc1ccc(cc1)Br)C(=O)CCC2
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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 C28H26BrN3O3 MW 532.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrN3O3/c1-17-24(28(34)35-2)25(26-22(30-17)9-6-10-23(26)33)21-16-32(15-18-11-13-20(29)14-12-18)31-27(21)19-7-4-3-5-8-19/h3-5,7-8,11-14,16,25,30H,6,9-10,15H2,1-2H3InChIKey
HEPBEJIBQZEQBU-UHFFFAOYSA-NSynonyms
492426-73-0492426730
CC1=C(C(C2=C(N1)CCCC2=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)OC
InChI=1SC28H26BrN3O3c11724(28(34)352)25(2622(3017)961023(26)33)211632(1518111320(29)141218)3127(21)197435819h35781114162530H691015H212H3
methyl4(1((4bromophenyl)methyl)3phenylpyrazol4yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
methyl4(1(4bromobenzyl)3phenyl1Hpyrazol4yl)2methyl5oxo145678hexahydroquinoline3carboxylate
MFCD02175744
ZINC000102658698
ZINC000102658700
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