Vitas-M small molecule compound

methyl 5-[1-(5-bromothiophen-2-yl)-3-methoxy-3-oxopropyl]-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL421581
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1ccc(s1)Br

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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 C15H14BrNO6S MW 416.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14BrNO6S/c1-22-11(18)5-7(9-3-4-10(16)24-9)12-13(19)8(15(21)23-2)6-17-14(12)20/h3-4,6-7H,5H2,1-2H3,(H2,17,19,20)
InChIKey
DQWCFXYFZUUBSJ-UHFFFAOYSA-N
Synonyms

COC(=O)CC(C1=CC=C(S1)Br)C2=C(C(=CNC2=O)C(=O)OC)O
InChI=1SC15H14BrNO6Sc12211(18)57(93410(16)249)1213(19)8(15(21)232)61714(12)20h3467H5H212H3(H2171920)
methyl5(1(5bromothiophen2yl)3methoxy3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(1(5bromothiophen2yl)3methoxy3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
MFCD30707617
ZINC000252482942
ZINC000252482943

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.