Vitas-M small molecule compound
3-butan-2-yl 6-methyl 4-(3-bromophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405004
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Br)C(=O)C(C(C2)C)C(=O)OC)C
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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 C24H28BrNO5 MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrNO5/c1-6-13(3)31-24(29)19-14(4)26-17-10-12(2)18(23(28)30-5)22(27)21(17)20(19)15-8-7-9-16(25)11-15/h7-9,11-13,18,20,26H,6,10H2,1-5H3InChIKey
OUBAYOIXMDBBCD-UHFFFAOYSA-NSynonyms
3butan2yl6methyl4(3bromophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl4(3bromophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC24H28BrNO5c1613(3)3124(29)1914(4)26171012(2)18(23(28)305)22(27)21(17)20(19)1587916(25)1115h791113182026H610H215H3
MFCD06194080
ZINC000001461124
ZINC000169702916
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