Vitas-M small molecule compound

dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK403557
SMILES COC(=O)C1=CN(C=C(C1c1cc2OCOc2cc1Br)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 C19H20BrNO6 MW 438.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrNO6/c1-10(2)21-7-12(18(22)24-3)17(13(8-21)19(23)25-4)11-5-15-16(6-14(11)20)27-9-26-15/h5-8,10,17H,9H2,1-4H3
InChIKey
MPQYNYQMIXZBOP-UHFFFAOYSA-N
Synonyms

4(6BROMO13BENZODIOXOL5YL)1ISOPROPYL4HPYRIDINE35DICARBOXYLICACIDDIMETHYLESTER
4(6BROMO13BENZODIOXOL5YL)1PROPAN2YL4HPYRIDINE35DICARBOXYLICACIDDIMETHYLESTER
CC(C)N1C=C(C(C(=C1)C(=O)OC)C2=CC3=C(C=C2Br)OCO3)C(=O)OC
DIMETHYL4(6BROMANYL13BENZODIOXOL5YL)1PROPAN2YL4HPYRIDINE35DICARBOXYLATE
dimethyl4(6bromo13benzodioxol5yl)1(propan2yl)14dihydropyridine35dicarboxylate
DIMETHYL4(6BROMO13BENZODIOXOL5YL)1ISOPROPYL14DIHYDRO35PYRIDINEDICARBOXYLATE
DIMETHYL4(6BROMO13BENZODIOXOL5YL)1PROPAN2YL4HPYRIDINE35DICARBOXYLATE
InChI=1SC19H20BrNO6c110(2)21712(18(22)243)17(13(821)19(23)254)1151516(614(11)20)2792615h581017H9H214H3
METHYL4(6BROMO(2HBENZO(D)13DIOXOLEN5YL))5(METHOXYCARBONYL)1(METHYLETHYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03489421
ZINC000002796902
ZINC02796902
ZINC2796902

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Available files

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