Vitas-M small molecule compound

2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate

Catalog ID
STL295508
SMILES CC(=O)OCCn1c(=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/c1-9(19)24-6-5-17-15(20)12-4-2-3-10-7-11(18(22)23)8-13(14(10)12)16(17)21/h2-4,7-8H,5-6H2,1H3
InChIKey
WFRIUTMLSIZCKD-UHFFFAOYSA-N
Synonyms

2(5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethylacetate
2(5NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYLACETATE
ACETICACID2(5NITRO13DIOXO1H3HBENZO(DE)ISOQUINOLIN2YL)ETHYLESTER
CC(=O)OCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)(N+)(=O)(O)
CC(=O)OCCn1c(=O)c2cc(cc3c2c(c1=O)ccc3)(N+)(=O)(O)
InChI=1SC16H12N2O6c19(19)24651715(20)1242310711(18(22)23)813(14(10)12)16(17)21h2478H56H21H3
MFCD00607445
ZINC000004577683
ZINC04577683
ZINC4577683

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Available files

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