Vitas-M small molecule compound
2-[(3-chlorophenyl)amino]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294680
SMILES Clc1cccc(c1)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[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 C18H9ClN4O6 MW 412.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H9ClN4O6/c19-10-2-1-3-11(6-10)20-21-17(24)14-7-12(22(26)27)4-9-5-13(23(28)29)8-15(16(9)14)18(21)25/h1-8,20HInChIKey
IKTOKHSFZOXCIV-UHFFFAOYSA-NSynonyms
2((3chlorophenyl)amino)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(3CHLOROANILINO)58BISNITRO1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3CHLOROANILINO)58DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC(=CC(=C1)Cl)NN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
Clc1cccc(c1)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H9ClN4O6c191021311(610)202117(24)14712(22(26)27)49513(23(28)29)815(16(9)14)18(21)25h1820H
MFCD00660020
ZINC000002071516
ZINC02071516
ZINC2071516
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