Vitas-M small molecule compound

2-(4-acetylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL360286
SMILES CC(=O)c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3[N+](=O)[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 C20H12N2O5 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O5/c1-11(23)12-5-7-13(8-6-12)21-19(24)15-4-2-3-14-17(22(26)27)10-9-16(18(14)15)20(21)25/h2-10H,1H3
InChIKey
VHFSQYRZLVTBTF-UHFFFAOYSA-N
Synonyms
5171-81-3
2(4acetylphenyl)6nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4ACETYLPHENYL)6NITROBENZO(DE)ISOQUINOLINE13DIONE
5171813
CC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=C4C2=O
CC(=O)c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O)
InChI=1SC20H12N2O5c111(23)125713(8612)2119(24)154231417(22(26)27)10916(18(14)15)20(21)25h210H1H3
MFCD00355220
ZINC000000792440
ZINC00792440
ZINC792440

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Available files

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