Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295088
SMILES [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1ccc(c(c1)C)C)[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 C20H13N3O6 MW 391.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O6/c1-10-3-4-12(9-11(10)2)21-19(24)13-5-7-15(22(26)27)18-16(23(28)29)8-6-14(17(13)18)20(21)25/h3-9H,1-2H3InChIKey
JXCFHOGYZHNUEM-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1ccc(c(c1)C)C)(N+)(=O)(O)
2(34dimethylphenyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(34dimethylphenyl)67dinitrobenzo(de)isoquinoline13dione
CC1=C(C=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)C
InChI=1SC20H13N3O6c1103412(911(10)2)2119(24)135715(22(26)27)1816(23(28)29)8614(17(13)18)20(21)25h39H12H3
MFCD00339172
ZINC000095470912
ZINC95470912
Check stock
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Check stock on Vitas-MAvailable files
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