Vitas-M small molecule compound

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

Catalog ID
STK059198
SMILES CCOC(=O)C1=CN(C=C(C1c1cccc(c1)[N+](=O)[O-])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 C20H24N2O6 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O6/c1-5-27-19(23)16-11-21(13(3)4)12-17(20(24)28-6-2)18(16)14-8-7-9-15(10-14)22(25)26/h7-13,18H,5-6H2,1-4H3
InChIKey
ITIBCWOMDIADOQ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OCC)C(C)C
CCOC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC)C(C)C
DIETHYL1(1METHYLETHYL)4(3NITROPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL4(3NITROPHENYL)1(PROPAN2YL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL4(3NITROPHENYL)1PROPAN2YL4HPYRIDINE35DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)1(METHYLETHYL)4(3NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC20H24N2O6c152719(23)161121(13(3)4)1217(20(24)2862)18(16)1487915(1014)22(25)26h71318H56H214H3
MFCD03489518
STK059198
ZINC000002797546
ZINC02797546
ZINC2797546

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Available files

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