Vitas-M small molecule compound

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

Catalog ID
STK072362
SMILES CCOc1cc(cc(c1OCC)Br)C1CC(=O)NC(=C1C(=O)OC)C

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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 C18H22BrNO5 MW 412.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrNO5/c1-5-24-14-8-11(7-13(19)17(14)25-6-2)12-9-15(21)20-10(3)16(12)18(22)23-4/h7-8,12H,5-6,9H2,1-4H3,(H,20,21)
InChIKey
PBIWHUIBILIWDW-UHFFFAOYSA-N
Synonyms
433241-23-7
433241237
CCOC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C(=O)OC)C)Br)OCC
CCOc1cc(cc(c1OCC)Br)C1CC(=O)NC(=C1C(=O)OC)C
InChI=1SC18H22BrNO5c152414811(713(19)17(14)2562)12915(21)2010(3)16(12)18(22)234h7812H569H214H3(H2021)
methyl4(3bromo45diethoxyphenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
METHYL4(3BROMO45DIETHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
MFCD03145296
STK072362
ZINC000001151989
ZINC000001151990

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Available files

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