Vitas-M small molecule compound

2-chloro-5-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid

Catalog ID
STL294630
SMILES [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1ccc(c(c1)C(=O)O)Cl)[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 C19H8ClN3O8 MW 441.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H8ClN3O8/c20-12-4-1-8(7-11(12)19(26)27)21-17(24)9-2-5-13(22(28)29)16-14(23(30)31)6-3-10(15(9)16)18(21)25/h1-7H,(H,26,27)
InChIKey
DRRZGUHVUWHHKS-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1ccc(c(c1)C(=O)O)Cl)(N+)(=O)(O)
2chloro5(67dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzoicacid
2CHLORO5(67DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BENZOICACID
C1=CC(=C(C=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)C(=O)O)Cl
InChI=1SC19H8ClN3O8c2012418(711(12)19(26)27)2117(24)92513(22(28)29)1614(23(30)31)6310(15(9)16)18(21)25h17H(H2627)
MFCD00326549
ZINC000003146533
ZINC3146533

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Available files

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