Vitas-M small molecule compound

diethyl 4-(1,3-benzodioxol-5-yl)-1-(thiophen-2-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407850
SMILES CCOC(=O)C1=CN(Cc2cccs2)C=C(C1c1ccc2c(c1)OCO2)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 C23H23NO6S MW 441.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6S/c1-3-27-22(25)17-12-24(11-16-6-5-9-31-16)13-18(23(26)28-4-2)21(17)15-7-8-19-20(10-15)30-14-29-19/h5-10,12-13,21H,3-4,11,14H2,1-2H3
InChIKey
CQVJSIJRIMBFNC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)CC4=CC=CS4
diethyl4(13benzodioxol5yl)1(thiophen2ylmethyl)14dihydropyridine35dicarboxylate
DIETHYL4(13BENZODIOXOL5YL)1(THIOPHEN2YLMETHYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC23H23NO6Sc132722(25)171224(11166593116)1318(23(26)2842)21(17)15781920(1015)30142919h510121321H341114H212H3
MFCD07358794
ZINC000016426672
ZINC16426672

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Available files

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