Vitas-M small molecule compound
methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372606
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)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 C18H18BrNO3 MW 376.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO3/c1-10-15(18(22)23-2)16(11-5-3-6-12(19)9-11)17-13(20-10)7-4-8-14(17)21/h3,5-6,9,16,20H,4,7-8H2,1-2H3InChIKey
ATOCIHLBILOHPL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)Br)C(=O)OC
InChI=1SC18H18BrNO3c11015(18(22)232)16(1153612(19)911)1713(2010)74814(17)21h35691620H478H212H3
methyl4(3bromophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00717966
ZINC000004728302
ZINC000013285561
ZINC04009889
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