Vitas-M small molecule compound

4-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid

Catalog ID
STL358445
SMILES OC(=O)CCCn1c(=O)c2cc(cc3c2c(c1=O)ccc3)[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 C16H12N2O6 MW 328.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O6/c19-13(20)5-2-6-17-15(21)11-4-1-3-9-7-10(18(23)24)8-12(14(9)11)16(17)22/h1,3-4,7-8H,2,5-6H2,(H,19,20)
InChIKey
DZRBYGUTBDJMPG-UHFFFAOYSA-N
Synonyms

4(5NITRO13DIOXO1H3HBENZO(DE)ISOQUINOLIN2YL)BUTYRICACID
4(5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanoicacid
4(5NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANOICACID
C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)(N+)(=O)(O)
InChI=1SC16H12N2O6c1913(20)5261715(21)114139710(18(23)24)812(14(9)11)16(17)22h13478H256H2(H1920)
MFCD01795568
OC(=O)CCCn1c(=O)c2cc(cc3c2c(c1=O)ccc3)(N+)(=O)(O)
ZINC000004558913
ZINC4558913

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Available files

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