Vitas-M small molecule compound
(5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-1-(2-methoxyethyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908826
SMILES COCCN1C(=O)/C(=C\c2ccc(o2)c2ccc(cc2Cl)Cl)/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 C21H16Cl2N2O4 MW 431.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O4/c1-12-16(20(26)25(7-8-28-2)21(27)17(12)11-24)10-14-4-6-19(29-14)15-5-3-13(22)9-18(15)23/h3-6,9-10H,7-8H2,1-2H3/b16-10-InChIKey
WRMPXKKQDDPQAZ-YBEGLDIGSA-NSynonyms
(5Z)5((5(24dichlorophenyl)furan2yl)methylidene)1(2methoxyethyl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((5(24dichlorophenyl)furan2yl)methylidene)1(2methoxyethyl)4methyl26dioxopyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CCOC)C#N
COCCN1C(=O)C(=Cc2ccc(o2)c2ccc(cc2Cl)Cl)C(=C(C1=O)C#N)C
InChI=1SC21H16Cl2N2O4c11216(20(26)25(78282)21(27)17(12)1124)10144619(2914)155313(22)918(15)23h36910H78H212H3b1610
MFCD06648114
ZINC000016753083
ZINC16753083
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