Vitas-M small molecule compound
2-ethyl-6-(ethylamino)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294746
SMILES CCNc1c(cc2c3c1cccc3c(=O)n(c2=O)CC)[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 C16H15N3O4 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4/c1-3-17-14-9-6-5-7-10-13(9)11(8-12(14)19(22)23)16(21)18(4-2)15(10)20/h5-8,17H,3-4H2,1-2H3InChIKey
SORXDYVTFLADGA-UHFFFAOYSA-NSynonyms
2ethyl6(ethylamino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2ethyl6(ethylamino)5nitrobenzo(de)isoquinoline13dione
CCNC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CC)(N+)(=O)(O)
CCNc1c(cc2c3c1cccc3c(=O)n(c2=O)CC)(N+)(=O)(O)
InChI=1SC16H15N3O4c13171496571013(9)11(812(14)19(22)23)16(21)18(42)15(10)20h5817H34H212H3
MFCD00697438
ZINC000095470826
ZINC95470826
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