Vitas-M small molecule compound

2-(2,4-dichlorophenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294633
SMILES Clc1ccc(c(c1)Cl)n1c(=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 C18H7Cl2N3O6 MW 432.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H7Cl2N3O6/c19-8-1-4-12(11(20)7-8)21-17(24)9-2-5-13(22(26)27)16-14(23(28)29)6-3-10(15(9)16)18(21)25/h1-7H
InChIKey
KKOVTRZGPFZZRS-UHFFFAOYSA-N
Synonyms

2(24dichlorophenyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(24dichlorophenyl)67dinitrobenzo(de)isoquinoline13dione
C1=CC(=C(C=C1Cl)Cl)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
Clc1ccc(c(c1)Cl)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H7Cl2N3O6c1981412(11(20)78)2117(24)92513(22(26)27)1614(23(28)29)6310(15(9)16)18(21)25h17H
MFCD00339170
ZINC000095470746
ZINC95470746

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Available files

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