Vitas-M small molecule compound

4-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-dimethylbenzenesulfonamide

Catalog ID
STK748675
SMILES CN(S(=O)(=O)c1ccc(cc1)n1c(=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 C20H14N4O8S MW 470.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O8S/c1-21(2)33(31,32)15-5-3-12(4-6-15)22-19(25)16-9-13(23(27)28)7-11-8-14(24(29)30)10-17(18(11)16)20(22)26/h3-10H,1-2H3
InChIKey
VMKRXDQHBDHDSR-UHFFFAOYSA-N
Synonyms

4(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)NNdimethylbenzenesulfonamide
4(58DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)NNDIMETHYLBENZENESULFONAMIDE
CN(C)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
CN(S(=O)(=O)c1ccc(cc1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC20H14N4O8Sc121(2)33(3132)155312(4615)2219(25)16913(23(27)28)711814(24(29)30)1017(18(11)16)20(22)26h310H12H3
MFCD00659980
ZINC000003044936
ZINC03044936
ZINC3044936

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Available files

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