Vitas-M small molecule compound

dimethyl 4-(1,3-benzodioxol-5-yl)-1-benzyl-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK014920
SMILES COC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccc2c(c1)OCO2)C(=O)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 C23H21NO6 MW 407.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO6/c1-27-22(25)17-12-24(11-15-6-4-3-5-7-15)13-18(23(26)28-2)21(17)16-8-9-19-20(10-16)30-14-29-19/h3-10,12-13,21H,11,14H2,1-2H3
InChIKey
UOUVASFXXICEPR-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CC=C4
COC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccc2c(c1)OCO2)C(=O)OC
DIMETHYL4(13BENZODIOXOL5YL)1BENZYL14DIHYDROPYRIDINE35DICARBOXYLATE
DIMETHYL4(13BENZODIOXOL5YL)1BENZYL4HPYRIDINE35DICARBOXYLATE
InChI=1SC23H21NO6c12722(25)171224(11156435715)1318(23(26)282)21(17)16891920(1016)30142919h310121321H1114H212H3
METHYL4(2HBENZO(34D)13DIOXOLEN5YL)5(METHOXYCARBONYL)1BENZYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD02104992
STK014920
ZINC000000781153
ZINC00781153
ZINC781153

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Available files

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