Vitas-M small molecule compound

diethyl 1-(2,5-dimethylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK045858
SMILES CCOC(=O)C1=CN(C=C(C1c1cc(OC)c(cc1OC)OC)C(=O)OCC)c1cc(C)ccc1C

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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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-8-35-27(30)20-15-29(22-12-17(3)10-11-18(22)4)16-21(28(31)36-9-2)26(20)19-13-24(33-6)25(34-7)14-23(19)32-5/h10-16,26H,8-9H2,1-7H3
InChIKey
SBLYNGHZGIKKCE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1c1cc(OC)c(cc1OC)OC)C(=O)OCC)c1cc(C)ccc1C
CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2OC)OC)OC)C(=O)OCC)C3=C(C=CC(=C3)C)C
DIETHYL1(25DIMETHYLPHENYL)4(245TRIMETHOXYPHENYL)14DIHYDRO35PYRIDINEDICARBOXYLATE
DIETHYL1(25DIMETHYLPHENYL)4(245TRIMETHOXYPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL1(25DIMETHYLPHENYL)4(245TRIMETHOXYPHENYL)4HPYRIDINE35DICARBOXYLATE
ETHYL1(25DIMETHYLPHENYL)5(ETHOXYCARBONYL)4(245TRIMETHOXYPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC28H33NO7c183527(30)201529(221217(3)101118(22)4)1621(28(31)3692)26(20)191324(336)25(347)1423(19)325h101626H89H217H3
MFCD02188813
STK045858
ZINC000000717247
ZINC00717247
ZINC717247

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Available files

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