Vitas-M small molecule compound
diethyl 5-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STL295323
SMILES CCOC(=O)c1c(C)c(sc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC
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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 C23H17N3O10S MW 527.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O10S/c1-4-35-22(29)16-10(3)18(23(30)36-5-2)37-21(16)24-19(27)14-8-12(25(31)32)6-11-7-13(26(33)34)9-15(17(11)14)20(24)28/h6-9H,4-5H2,1-3H3InChIKey
KBRRIAPKLRIQAV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(C)c(sc1n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O))C(=O)OCC
DIETHYL5(58BISNITRO13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)3METHYLTHIOPHENE24DICARBOXYLATE
diethyl5(58dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)3methylthiophene24dicarboxylate
DIETHYL5(58DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC23H17N3O10Sc143522(29)1610(3)18(23(30)3652)3721(16)2419(27)14812(25(31)32)611713(26(33)34)915(17(11)14)20(24)28h69H45H213H3
MFCD00659979
ZINC000002053047
ZINC02053047
ZINC2053047
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.