Vitas-M small molecule compound

dimethyl 6'-amino-5'-cyano-1'-(4-fluorophenyl)-1',4'-dihydro-3,4'-bipyridine-2',3'-dicarboxylate

Catalog ID
STK785888
SMILES COC(=O)C1=C(C(=O)OC)C(C(=C(N1c1ccc(cc1)F)N)C#N)c1cccnc1

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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 C21H17FN4O4 MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O4/c1-29-20(27)17-16(12-4-3-9-25-11-12)15(10-23)19(24)26(18(17)21(28)30-2)14-7-5-13(22)6-8-14/h3-9,11,16H,24H2,1-2H3
InChIKey
QUFJVBPRJULDME-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(N(C(=C(C1C2=CN=CC=C2)C#N)N)C3=CC=C(C=C3)F)C(=O)OC
dimethyl6amino5cyano1(4fluorophenyl)14dihydro34bipyridine23dicarboxylate
DIMETHYL6AMINO5CYANO1(4FLUOROPHENYL)4PYRIDIN3YL4HPYRIDINE23DICARBOXYLATE
InChI=1SC21H17FN4O4c12920(27)1716(12439251112)15(1023)19(24)26(18(17)21(28)302)147513(22)6814h391116H24H212H3
MFCD07800863
ZINC000006659206
ZINC000006659207

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Available files

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