Vitas-M small molecule compound

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

Catalog ID
STK405292
SMILES COC(=O)C1=CN(C=C(C1c1ccc2c(c1)OCO2)C(=O)OC)C1CCCC1

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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 C21H23NO6 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6/c1-25-20(23)15-10-22(14-5-3-4-6-14)11-16(21(24)26-2)19(15)13-7-8-17-18(9-13)28-12-27-17/h7-11,14,19H,3-6,12H2,1-2H3
InChIKey
MPGKCBBUAQOHLQ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C4CCCC4
dimethyl4(13benzodioxol5yl)1cyclopentyl14dihydropyridine35dicarboxylate
DIMETHYL4(13BENZODIOXOL5YL)1CYCLOPENTYL4HPYRIDINE35DICARBOXYLATE
InChI=1SC21H23NO6c12520(23)151022(14534614)1116(21(24)262)19(15)13781718(913)28122717h7111419H3612H212H3
METHYL4(2HBENZO(34D)13DIOXOLEN5YL)1CYCLOPENTYL5(METHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03999148
ZINC000001140753
ZINC01140753
ZINC1140753

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Available files

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