Vitas-M small molecule compound

dimethyl 6-amino-4-(4-chlorophenyl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate

Catalog ID
STK785881
SMILES COC(=O)C1=C(C(=O)OC)N(C(=C(C1c1ccc(cc1)Cl)C#N)N)c1ccccc1

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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 C22H18ClN3O4 MW 423.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O4/c1-29-21(27)18-17(13-8-10-14(23)11-9-13)16(12-24)20(25)26(19(18)22(28)30-2)15-6-4-3-5-7-15/h3-11,17H,25H2,1-2H3
InChIKey
JSFPXKUTTWKKIL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Cl)C#N)N)C3=CC=CC=C3)C(=O)OC
dimethyl6amino4(4chlorophenyl)5cyano1phenyl14dihydropyridine23dicarboxylate
DIMETHYL6AMINO4(4CHLOROPHENYL)5CYANO1PHENYL4HPYRIDINE23DICARBOXYLATE
InChI=1SC22H18ClN3O4c12921(27)1817(1381014(23)11913)16(1224)20(25)26(19(18)22(28)302)156435715h31117H25H212H3
MFCD07800854
ZINC000012417444
ZINC000012417446

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Available files

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