Vitas-M small molecule compound

4-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-diethylbenzenesulfonamide

Catalog ID
STL295306
SMILES CCN(S(=O)(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-])CC

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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 C22H18N4O8S MW 498.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O8S/c1-3-23(4-2)35(33,34)14-7-5-13(6-8-14)24-21(27)15-9-11-17(25(29)30)20-18(26(31)32)12-10-16(19(15)20)22(24)28/h5-12H,3-4H2,1-2H3
InChIKey
VAUVPAMDWFKQLE-UHFFFAOYSA-N
Synonyms

4(67dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)NNdiethylbenzenesulfonamide
4(67DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)NNDIETHYLBENZENESULFONAMIDE
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
CCN(S(=O)(=O)c1ccc(cc1)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O))CC
InChI=1SC22H18N4O8Sc1323(42)35(3334)147513(6814)2421(27)1591117(25(29)30)2018(26(31)32)121016(19(15)20)22(24)28h512H34H212H3
MFCD00659965
ZINC000003044921
ZINC3044921

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Available files

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