Vitas-M small molecule compound

diethyl 1-(4-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK830028
SMILES CCOC(=O)C1=C(C)N(C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC)C)c1ccc(cc1)OC

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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 C26H28N2O7 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O7/c1-6-34-25(29)22-16(3)27(19-11-13-21(33-5)14-12-19)17(4)23(26(30)35-7-2)24(22)18-9-8-10-20(15-18)28(31)32/h8-15,24H,6-7H2,1-5H3
InChIKey
NHIBLAGQBTXFOU-UHFFFAOYSA-N
Synonyms
71941-45-2
14DIHYDRO1(4METHOXYPHENYL)4(3NITROPHENYL)26DIMETHYLPYRIDINE35DICARBOXYLICACIDDIETHYLESTER
35DIETHYL1(4METHOXYPHENYL)26DIMETHYL4(3NITROPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
71941452
CCOC(=O)C1=C(C)N(C(=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)OCC)C)c1ccc(cc1)OC
CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC)C)C3=CC=C(C=C3)OC)C
diethyl1(4methoxyphenyl)26dimethyl4(3nitrophenyl)14dihydropyridine35dicarboxylate
diethyl1(4methoxyphenyl)26dimethyl4(3nitrophenyl)4Hpyridine35dicarboxylate
InChI=1SC26H28N2O7c163425(29)2216(3)27(19111321(335)141219)17(4)23(26(30)3572)24(22)18981020(1518)28(31)32h81524H67H215H3
MFCD00546289
ZINC000000947109
ZINC00947109
ZINC947109

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Available files

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