Vitas-M small molecule compound
2-ethyl-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294683
SMILES CCn1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[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 C14H9N3O6 MW 315.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O6/c1-2-15-13(18)7-3-5-9(16(20)21)12-10(17(22)23)6-4-8(11(7)12)14(15)19/h3-6H,2H2,1H3InChIKey
YMRWGCJZNAPYLG-UHFFFAOYSA-NSynonyms
2ethyl67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2ethyl67dinitrobenzo(de)isoquinoline13dione
CCN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C1=O
CCn1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9N3O6c121513(18)7359(16(20)21)1210(17(22)23)648(11(7)12)14(15)19h36H2H21H3
MFCD00659967
ZINC000095470773
ZINC95470773
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