Vitas-M small molecule compound

(2Z)-2-[cyano(phenyl)methylidene]-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6,7-dicarbonitrile

Catalog ID
STL435607
SMILES N#C/C(=c/1\oc2cc(C#N)c(cc2n(c1=O)O)C#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 C18H8N4O3 MW 328.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H8N4O3/c19-8-12-6-15-16(7-13(12)9-20)25-17(18(23)22(15)24)14(10-21)11-4-2-1-3-5-11/h1-7,24H/b17-14+
InChIKey
JMEKVURCSODONY-SAPNQHFASA-N
Synonyms

(2Z)2(cyano(phenyl)methylidene)4hydroxy3oxo14benzoxazine67dicarbonitrile
(2Z)2(cyano(phenyl)methylidene)4hydroxy3oxo34dihydro2H14benzoxazine67dicarbonitrile
C1=CC=C(C=C1)C(=C2C(=O)N(C3=C(O2)C=C(C(=C3)C#N)C#N)O)C#N
InChI=1SC18H8N4O3c1981261516(713(12)920)2517(18(23)22(15)24)14(1021)114213511h1724Hb1714+
MFCD25975686
N#CC(=c1oc2cc(C#N)c(cc2n(c1=O)O)C#N)c1ccccc1
ZINC000066089276
ZINC66089276

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Available files

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