Vitas-M small molecule compound
6-bromo-2-(4-ethoxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294737
SMILES CCOc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3Br)[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 C20H13BrN2O5 MW 441.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN2O5/c1-2-28-12-8-6-11(7-9-12)22-19(24)14-5-3-4-13-17(14)15(20(22)25)10-16(18(13)21)23(26)27/h3-10H,2H2,1H3InChIKey
YVDLISLUXBURMW-UHFFFAOYSA-NSynonyms
6bromo2(4ethoxyphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6bromo2(4ethoxyphenyl)5nitrobenzo(de)isoquinoline13dione
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
CCOc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3Br)(N+)(=O)(O)
InChI=1SC20H13BrN2O5c1228128611(7912)2219(24)145341317(14)15(20(22)25)1016(18(13)21)23(26)27h310H2H21H3
MFCD00607474
ZINC000095470819
ZINC95470819
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