Vitas-M small molecule compound

6-bromo-2-(3,4-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294742
SMILES [O-][N+](=O)c1cc2c(=O)n(c3ccc(c(c3)C)C)c(=O)c3c2c(c1Br)ccc3

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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 C20H13BrN2O4 MW 425.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN2O4/c1-10-6-7-12(8-11(10)2)22-19(24)14-5-3-4-13-17(14)15(20(22)25)9-16(18(13)21)23(26)27/h3-9H,1-2H3
InChIKey
XIXDXRRRNUPTTG-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2c(=O)n(c3ccc(c(c3)C)C)c(=O)c3c2c(c1Br)ccc3
6bromo2(34dimethylphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6BROMO2(34DIMETHYLPHENYL)5NITROBENZO(DE)ISOQUINOLINE13DIONE
CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O)C
InChI=1SC20H13BrN2O4c1106712(811(10)2)2219(24)145341317(14)15(20(22)25)916(18(13)21)23(26)27h39H12H3
MFCD00607497
ZINC000003206796
ZINC3206796

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Available files

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