Vitas-M small molecule compound

methyl 5-bromo-1-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylate

Catalog ID
STL514319
SMILES COC(=O)c1cn(CCc2cnc[nH]2)c(=O)c(c1)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 C12H12BrN3O3 MW 326.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12BrN3O3/c1-19-12(18)8-4-10(13)11(17)16(6-8)3-2-9-5-14-7-15-9/h4-7H,2-3H2,1H3,(H,14,15)
InChIKey
XDPJYCPUKGGTBI-UHFFFAOYSA-N
Synonyms
671768-04-0
671768040
906473
COC(=O)c1cn(CCc2c(nH)cn2)c(=O)c(c1)Br
InChI=1SC12H12BrN3O3c11912(18)8410(13)11(17)16(68)3295147159h47H23H21H3(H1415)
METHYL1(2(1HIMIDAZOL4YL)ETHYL)5BROMO6OXO16DIHYDROPYRIDINE3CARBOXYLATE
methyl5bromo1(2(1~(H)imidazol5yl)ethyl)6oxopyridine3carboxylate
methyl5bromo1(2(1Himidazol5yl)ethyl)6oxo16dihydropyridine3carboxylate
METHYL5BROMO1(2(1HIMIDAZOL5YL)ETHYL)6OXOPYRIDINE3CARBOXYLATE
MFCD03796194
ZINC000004555729
ZINC4555729

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Available files

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