Vitas-M small molecule compound

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

Catalog ID
STK363520
SMILES CCOC(=O)C1=C(C)NC(=O)CC1c1cc(OC)c(cc1Br)OC

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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 C17H20BrNO5 MW 398.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20BrNO5/c1-5-24-17(21)16-9(2)19-15(20)7-11(16)10-6-13(22-3)14(23-4)8-12(10)18/h6,8,11H,5,7H2,1-4H3,(H,19,20)
InChIKey
SPTYXSCPYMRLLO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)CC1C2=CC(=C(C=C2Br)OC)OC)C
ethyl4(2bromo45dimethoxyphenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
ETHYL4(2BROMO45DIMETHOXYPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
ETHYL4(2BROMO45DIMETHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
InChI=1SC17H20BrNO5c152417(21)169(2)1915(20)711(16)10613(223)14(234)812(10)18h6811H57H214H3(H1920)
MFCD01445318
ZINC000001080979
ZINC000001080980

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Available files

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