Vitas-M small molecule compound

diethyl 1-(4-chlorobenzyl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK404742
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)OCC

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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 C24H22Cl2N2O6 MW 505.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22Cl2N2O6/c1-3-33-23(29)18-13-27(12-15-5-8-17(25)9-6-15)14-19(24(30)34-4-2)22(18)16-7-10-20(26)21(11-16)28(31)32/h5-11,13-14,22H,3-4,12H2,1-2H3
InChIKey
FUSUOPYMMMZDNN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)OCC)CC3=CC=C(C=C3)Cl
CCOC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)OCC
diethyl1(4chlorobenzyl)4(4chloro3nitrophenyl)14dihydropyridine35dicarboxylate
DIETHYL4(4CHLORO3NITROPHENYL)1((4CHLOROPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
ETHYL4(4CHLORO3NITROPHENYL)1((4CHLOROPHENYL)METHYL)5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC24H22Cl2N2O6c133323(29)181327(12155817(25)9615)1419(24(30)3442)22(18)1671020(26)21(1116)28(31)32h511131422H3412H212H3
MFCD06193950
ZINC000002921147
ZINC02921147
ZINC2921147

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Available files

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