Vitas-M small molecule compound
2-[(4-chlorophenyl)amino]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK670469
SMILES Clc1ccc(cc1)Nn1c(=O)c2ccc(c3c2c(c1=O)ccc3[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/c19-9-1-3-10(4-2-9)20-21-17(24)11-5-7-13(22(26)27)16-14(23(28)29)8-6-12(15(11)16)18(21)25/h1-8,20HInChIKey
KJXPKJSDUGZVSU-UHFFFAOYSA-NSynonyms
2((4chlorophenyl)amino)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4CHLOROANILINO)67DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC(=CC=C1NN2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)Cl
Clc1ccc(cc1)Nn1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H9ClN4O6c1991310(429)202117(24)115713(22(26)27)1614(23(28)29)8612(15(11)16)18(21)25h1820H
MFCD00660012
ZINC000003044966
ZINC03044966
ZINC3044966
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