Vitas-M small molecule compound

methyl 4-(5-bromo-2-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK007150
SMILES COC(=O)C1=C(C)NC(=O)CC1c1cc(Br)ccc1F

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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 C14H13BrFNO3 MW 342.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrFNO3/c1-7-13(14(19)20-2)10(6-12(18)17-7)9-5-8(15)3-4-11(9)16/h3-5,10H,6H2,1-2H3,(H,17,18)
InChIKey
SCUXHZNCDFYLLT-UHFFFAOYSA-N
Synonyms

CC1=C(C(CC(=O)N1)C2=C(C=CC(=C2)Br)F)C(=O)OC
COC(=O)C1=C(C)NC(=O)CC1c1cc(Br)ccc1F
InChI=1SC14H13BrFNO3c1713(14(19)202)10(612(18)177)958(15)3411(9)16h3510H6H212H3(H1718)
methyl4(5bromo2fluorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
METHYL4(5BROMO2FLUOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
METHYL4(5BROMO2FLUOROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
MFCD02025385
STK007150
ZINC000000110054
ZINC000000110063

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Available files

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