Vitas-M small molecule compound

diethyl 4-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK021491
SMILES CCOC(=O)C1=CN(C=C(C1c1ccc2c(c1)OCO2)C(=O)OCC)c1cc(C)cc(c1)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 C26H27NO6 MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6/c1-5-30-25(28)20-13-27(19-10-16(3)9-17(4)11-19)14-21(26(29)31-6-2)24(20)18-7-8-22-23(12-18)33-15-32-22/h7-14,24H,5-6,15H2,1-4H3
InChIKey
ZRDSQYPMLWJCAF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1c1ccc2c(c1)OCO2)C(=O)OCC)c1cc(C)cc(c1)C
CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)C4=CC(=CC(=C4)C)C
DIETHYL4(13BENZODIOXOL5YL)1(35DIMETHYLPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL4(13BENZODIOXOL5YL)1(35DIMETHYLPHENYL)4HPYRIDINE35DICARBOXYLATE
ETHYL4(2HBENZO(34D)13DIOXOLEN5YL)1(35DIMETHYLPHENYL)5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H27NO6c153025(28)201327(191016(3)917(4)1119)1421(26(29)3162)24(20)18782223(1218)33153222h71424H5615H214H3
MFCD02105358
STK021491
ZINC000001171019
ZINC01171019
ZINC1171019

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Available files

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