Vitas-M small molecule compound

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

Catalog ID
STK404415
SMILES CCOC(=O)C1=CN(C=C(C1c1cc(Br)ccc1OC)C(=O)OCC)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 C21H26BrNO5 MW 452.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26BrNO5/c1-6-27-20(24)16-11-23(13(3)4)12-17(21(25)28-7-2)19(16)15-10-14(22)8-9-18(15)26-5/h8-13,19H,6-7H2,1-5H3
InChIKey
FCHHAPAFWMGAJF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=C(C=CC(=C2)Br)OC)C(=O)OCC)C(C)C
diethyl4(5bromo2methoxyphenyl)1(propan2yl)14dihydropyridine35dicarboxylate
DIETHYL4(5BROMO2METHOXYPHENYL)1PROPAN2YL4HPYRIDINE35DICARBOXYLATE
ETHYL4(5BROMO2METHOXYPHENYL)5(ETHOXYCARBONYL)1(METHYLETHYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC21H26BrNO5c162720(24)161123(13(3)4)1217(21(25)2872)19(16)151014(22)8918(15)265h81319H67H215H3
MFCD04063736
ZINC000002853334
ZINC02853334
ZINC2853334

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Available files

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