Vitas-M small molecule compound

dimethyl 1-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK405318
SMILES COC(=O)C1=CN(C=C(C1c1cccc(c1)F)C(=O)OC)c1ccc(c(c1)F)F

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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 C21H16F3NO4 MW 403.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3NO4/c1-28-20(26)15-10-25(14-6-7-17(23)18(24)9-14)11-16(21(27)29-2)19(15)12-4-3-5-13(22)8-12/h3-11,19H,1-2H3
InChIKey
QXJGEKVIGCDWSR-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)F)C(=O)OC)C3=CC(=C(C=C3)F)F
dimethyl1(34difluorophenyl)4(3fluorophenyl)14dihydropyridine35dicarboxylate
DIMETHYL1(34DIFLUOROPHENYL)4(3FLUOROPHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC21H16F3NO4c12820(26)151025(146717(23)18(24)914)1116(21(27)292)19(15)1243513(22)812h31119H12H3
METHYL1(34DIFLUOROPHENYL)4(3FLUOROPHENYL)5(METHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03999391
ZINC000001141019
ZINC01141019
ZINC1141019

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Available files

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