Vitas-M small molecule compound
(5Z)-1-butyl-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514854
SMILES CCCCN1C(=O)/C(=C\c2ccc(o2)c2ccc(cc2)F)/C(=C(C1=O)C#N)C
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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 C22H19FN2O3 MW 378.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O3/c1-3-4-11-25-21(26)18(14(2)19(13-24)22(25)27)12-17-9-10-20(28-17)15-5-7-16(23)8-6-15/h5-10,12H,3-4,11H2,1-2H3/b18-12-InChIKey
OTQVVJIMACIJKW-PDGQHHTCSA-NSynonyms
(5Z)1butyl5((5(4fluorophenyl)furan2yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1butyl5((5(4fluorophenyl)furan2yl)methylidene)4methyl26dioxopyridine3carbonitrile
CCCCN1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)F)C(=C(C1=O)C#N)C
CCCCN1C(=O)C(=Cc2ccc(o2)c2ccc(cc2)F)C(=C(C1=O)C#N)C
InChI=1SC22H19FN2O3c134112521(26)18(14(2)19(1324)22(25)27)121791020(2817)155716(23)8615h51012H3411H212H3b1812
MFCD06645017
ZINC000016741529
ZINC16741529
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