Vitas-M small molecule compound

2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL393078
SMILES [O-][N+](=O)c1ccc2c3c1cccc3c(=O)n(c2=O)c1c(C)nn(c1C)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 C23H16N4O4 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O4/c1-13-21(14(2)26(24-13)15-7-4-3-5-8-15)25-22(28)17-10-6-9-16-19(27(30)31)12-11-18(20(16)17)23(25)29/h3-12H,1-2H3
InChIKey
QYYVFKNWWUWKOP-UHFFFAOYSA-N
Synonyms
482573-75-1
(O)(N+)(=O)c1ccc2c3c1cccc3c(=O)n(c2=O)c1c(C)nn(c1C)c1ccccc1
2(35DIMETHYL1PHENYL1HPYRAZOL4YL)6NITRO1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(35DIMETHYL1PHENYLPYRAZOL4YL)6NITROBENZO(DE)ISOQUINOLINE13DIONE
482573751
CC1=C(C(=NN1C2=CC=CC=C2)C)N3C(=O)C4=C5C(=C(C=C4)(N+)(=O)(O))C=CC=C5C3=O
InChI=1SC23H16N4O4c11321(14(2)26(2413)157435815)2522(28)1710691619(27(30)31)121118(20(16)17)23(25)29h312H12H3
MFCD00849614
ZINC000000842318
ZINC00842318
ZINC842318

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Available files

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