Vitas-M small molecule compound

3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl acetate

Catalog ID
STK731685
SMILES CC(=O)Oc1cccc(c1)n1c(=O)c2cccc3c2c(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 C20H12N2O6 MW 376.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O6/c1-11(23)28-13-5-2-4-12(10-13)21-19(24)15-7-3-6-14-17(22(26)27)9-8-16(18(14)15)20(21)25/h2-10H,1H3
InChIKey
OLNLUYUTPMOILY-UHFFFAOYSA-N
Synonyms

(3(6NITRO13BIS(OXIDANYLIDENE)BENZO(DE)ISOQUINOLIN2YL)PHENYL)ETHANOATE
(3(6NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)PHENYL)ACETATE
3(6nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)phenylacetate
ACETICACID(3(13DIKETO6NITROBENZO(DE)ISOQUINOLIN2YL)PHENYL)ESTER
ACETICACID(3(6NITRO13DIOXO2BENZO(DE)ISOQUINOLINYL)PHENYL)ESTER
ACETICACID3(6NITRO13DIOXO1H3HBENZO(DE)ISOQUINOLIN2YL)PHENYLESTER
CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=C4C2=O
CC(=O)Oc1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O)
InChI=1SC20H12N2O6c111(23)281352412(1013)2119(24)157361417(22(26)27)9816(18(14)15)20(21)25h210H1H3
MFCD00779434
ZINC000000829497
ZINC00829497
ZINC829497

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Available files

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