Vitas-M small molecule compound

dimethyl 4-(3-bromo-4-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK403635
SMILES COC(=O)C1=CN(C)C=C(C1c1ccc(c(c1)Br)OC)C(=O)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 C17H18BrNO5 MW 396.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrNO5/c1-19-8-11(16(20)23-3)15(12(9-19)17(21)24-4)10-5-6-14(22-2)13(18)7-10/h5-9,15H,1-4H3
InChIKey
JRFQJZSKUCXZRG-UHFFFAOYSA-N
Synonyms

CN1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C=C2)OC)Br)C(=O)OC
dimethyl4(3bromo4methoxyphenyl)1methyl14dihydropyridine35dicarboxylate
DIMETHYL4(3BROMO4METHOXYPHENYL)1METHYL4HPYRIDINE35DICARBOXYLATE
InChI=1SC17H18BrNO5c119811(16(20)233)15(12(919)17(21)244)105614(222)13(18)710h5915H14H3
METHYL4(3BROMO4METHOXYPHENYL)5(METHOXYCARBONYL)1METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03489526
ZINC000000815872
ZINC00815872
ZINC815872

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Available files

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