Vitas-M small molecule compound

dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK403652
SMILES COC(=O)C1=CN(C=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)OC)C(C)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 C19H22BrNO6 MW 440.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrNO6/c1-10(2)21-8-12(18(23)26-4)16(13(9-21)19(24)27-5)11-6-14(20)17(22)15(7-11)25-3/h6-10,16,22H,1-5H3
InChIKey
OMNVMBBAPYFRPF-UHFFFAOYSA-N
Synonyms

CC(C)N1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC
dimethyl4(3bromo4hydroxy5methoxyphenyl)1(propan2yl)14dihydropyridine35dicarboxylate
DIMETHYL4(3BROMO4HYDROXY5METHOXYPHENYL)1PROPAN2YL4HPYRIDINE35DICARBOXYLATE
InChI=1SC19H22BrNO6c110(2)21812(18(23)264)16(13(921)19(24)275)11614(20)17(22)15(711)253h6101622H15H3
METHYL4(3BROMO4HYDROXY5METHOXYPHENYL)5(METHOXYCARBONYL)1(METHYLETHYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03489546
ZINC000002797548
ZINC02797548
ZINC2797548

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Available files

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