Vitas-M small molecule compound

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

Catalog ID
STK528752
SMILES CCOC(=O)C1=C(C)N(C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OCC)C)c1cccc(c1)Cl

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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 C25H25ClN2O6 MW 484.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN2O6/c1-5-33-24(29)21-15(3)27(20-9-7-8-18(26)14-20)16(4)22(25(30)34-6-2)23(21)17-10-12-19(13-11-17)28(31)32/h7-14,23H,5-6H2,1-4H3
InChIKey
JCLXFWOQCFTQBD-UHFFFAOYSA-N
Synonyms
74979-78-5
74979785
CCOC(=O)C1=C(C)N(C(=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)OCC)C)c1cccc(c1)Cl
CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OCC)C)C3=CC(=CC=C3)Cl)C
diethyl1(3chlorophenyl)26dimethyl4(4nitrophenyl)14dihydropyridine35dicarboxylate
DIETHYL1(3CHLOROPHENYL)26DIMETHYL4(4NITROPHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC25H25ClN2O6c153324(29)2115(3)27(2097818(26)1420)16(4)22(25(30)3462)23(21)17101219(131117)28(31)32h71423H56H214H3
MFCD00570950
ZINC000002278332
ZINC02278332
ZINC2278332

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Available files

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