Vitas-M small molecule compound

diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK404064
SMILES CCOC(=O)C1=CN(C)C=C(C1c1cc2OCOc2cc1Br)C(=O)OCC

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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 C19H20BrNO6 MW 438.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrNO6/c1-4-24-18(22)12-8-21(3)9-13(19(23)25-5-2)17(12)11-6-15-16(7-14(11)20)27-10-26-15/h6-9,17H,4-5,10H2,1-3H3
InChIKey
JCYOZAHFBKBZRS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OCC)C
diethyl4(6bromo13benzodioxol5yl)1methyl14dihydropyridine35dicarboxylate
DIETHYL4(6BROMO13BENZODIOXOL5YL)1METHYL4HPYRIDINE35DICARBOXYLATE
ETHYL4(6BROMO(2HBENZO(D)13DIOXOLEN5YL))5(ETHOXYCARBONYL)1METHYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC19H20BrNO6c142418(22)12821(3)913(19(23)2552)17(12)1161516(714(11)20)27102615h6917H4510H213H3
MFCD03997069
ZINC000000816024
ZINC00816024
ZINC816024

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Available files

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