Vitas-M small molecule compound
methyl 5-[3-amino-1-(4-bromophenyl)-3-oxopropyl]-4,6-dihydroxypyridine-3-carboxylate
Catalog ID
STL425095
SMILES COC(=O)c1cnc(c(c1O)C(c1ccc(cc1)Br)CC(=O)N)O
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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 C16H15BrN2O5 MW 395.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN2O5/c1-24-16(23)11-7-19-15(22)13(14(11)21)10(6-12(18)20)8-2-4-9(17)5-3-8/h2-5,7,10H,6H2,1H3,(H2,18,20)(H2,19,21,22)InChIKey
UQTVJBKIFPFHHE-UHFFFAOYSA-NSynonyms
COC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)N)C2=CC=C(C=C2)Br
InChI=1SC16H15BrN2O5c12416(23)1171915(22)13(14(11)21)10(612(18)20)8249(17)538h25710H6H21H3(H21820)(H2192122)
methyl5(3amino1(4bromophenyl)3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(3amino1(4bromophenyl)3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
MFCD30709763
ZINC000252502458
ZINC000252502459
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