Vitas-M small molecule compound

(5E)-5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK126504
SMILES N#CC1=C(C)/C(=C\c2ccc(o2)c2cc(ccc2O)[N+](=O)[O-])/C(=O)NC1=O

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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 C18H11N3O6 MW 365.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N3O6/c1-9-12(17(23)20-18(24)14(9)8-19)7-11-3-5-16(27-11)13-6-10(21(25)26)2-4-15(13)22/h2-7,22H,1H3,(H,20,23,24)/b12-7+
InChIKey
LWOZBLMRZAMJES-KPKJPENVSA-N
Synonyms

(5E)5((5(2hydroxy5nitrophenyl)furan2yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5E)5((5(2HYDROXY5NITROPHENYL)FURAN2YL)METHYLIDENE)4METHYL26DIOXOPYRIDINE3CARBONITRILE
CC1=C(C(=O)NC(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))O)C#N
InChI=1SC18H11N3O6c1912(17(23)2018(24)14(9)819)7113516(2711)13610(21(25)26)2415(13)22h2722H1H3(H202324)b127+
MFCD03929000
N#CC1=C(C)C(=Cc2ccc(o2)c2cc(ccc2O)(N+)(=O)(O))C(=O)NC1=O
ZINC000101566503
ZINC101566503

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Available files

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