Vitas-M small molecule compound

N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanamide

Catalog ID
STK670471
SMILES CC(CC(=O)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-])C

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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 C17H14N4O7 MW 386.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O7/c1-8(2)3-14(22)18-19-16(23)12-6-10(20(25)26)4-9-5-11(21(27)28)7-13(15(9)12)17(19)24/h4-8H,3H2,1-2H3,(H,18,22)
InChIKey
ZQCFNYUETAURQO-UHFFFAOYSA-N
Synonyms

CC(C)CC(=O)NN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)(N+)(=O)(O))(N+)(=O)(O)
CC(CC(=O)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC17H14N4O7c18(2)314(22)181916(23)12610(20(25)26)49511(21(27)28)713(15(9)12)17(19)24h48H3H212H3(H1822)
MFCD00697242
N(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)3methylbutanamide
N(58DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)3METHYLBUTANAMIDE
ZINC000003067053
ZINC03067053
ZINC3067053

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Available files

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