Vitas-M small molecule compound
prop-2-en-1-yl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372645
SMILES C=CCOC(=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 C20H20BrNO3 MW 402.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO3/c1-3-10-25-20(24)17-12(2)22-15-8-5-9-16(23)19(15)18(17)13-6-4-7-14(21)11-13/h3-4,6-7,11,18,22H,1,5,8-10H2,2H3InChIKey
KBJMELLKXXIOLC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)Br)C(=O)OCC=C
InChI=1SC20H20BrNO3c13102520(24)1712(2)221585916(23)19(15)18(17)1364714(21)1113h3467111822H15810H22H3
MFCD00717989
prop2en1yl4(3bromophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3bromophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055485
ZINC000002055486
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