Vitas-M small molecule compound

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

Catalog ID
STL295095
SMILES [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)n1cnnc1)[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 C14H6N6O6 MW 354.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H6N6O6/c21-13-7-1-3-9(19(23)24)12-10(20(25)26)4-2-8(11(7)12)14(22)18(13)17-5-15-16-6-17/h1-6H
InChIKey
HFBVDOMASQCODM-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)n1cnnc1)(N+)(=O)(O)
67DINITRO2(124)TRIAZOL4YLBENZO(DE)ISOQUINOLINE13DIONE
67DINITRO2(124TRIAZOL4YL)BENZO(DE)ISOQUINOLINE13DIONE
67dinitro2(4H124triazol4yl)1Hbenzo(de)isoquinoline13(2H)dione
C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)N4C=NN=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H6N6O6c21137139(19(23)24)1210(20(25)26)428(11(7)12)14(22)18(13)1751516617h16H
MFCD00366609
ZINC000003077652
ZINC03077652
ZINC3077652

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Available files

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