Vitas-M small molecule compound

2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL321995
SMILES N#CC1=C(O)OC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)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 C22H16N2O5 MW 388.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O5/c23-12-17-20(14-6-8-16(9-7-14)24(27)28)21-18(25)10-15(11-19(21)29-22(17)26)13-4-2-1-3-5-13/h1-9,15,20,26H,10-11H2
InChIKey
QNJLNLDYOQFLLP-UHFFFAOYSA-N
Synonyms
368434-77-9
2hydroxy4(4nitrophenyl)5oxo7phenyl4678tetrahydrochromene3carbonitrile
2hydroxy4(4nitrophenyl)5oxo7phenyl5678tetrahydro4Hchromene3carbonitrile
368434779
C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)(N+)(=O)(O))C#N)O)C4=CC=CC=C4
InChI=1SC22H16N2O5c23121720(146816(9714)24(27)28)2118(25)1015(1119(21)2922(17)26)134213513h19152026H1011H2
MFCD01088226
N#CC1=C(O)OC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
ZINC000002294704
ZINC000002294707

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Available files

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