Vitas-M small molecule compound
3-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl acetate
Catalog ID
STL295313
SMILES CC(=O)OCCCn1c(=O)c2cccc3c2c(c1=O)cc(c3)[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 C17H14N2O6 MW 342.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O6/c1-10(20)25-7-3-6-18-16(21)13-5-2-4-11-8-12(19(23)24)9-14(15(11)13)17(18)22/h2,4-5,8-9H,3,6-7H2,1H3InChIKey
HBWWTONBVRRHJW-UHFFFAOYSA-NSynonyms
3(5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propylacetate
3(5nitro13dioxobenzo(de)isoquinolin2yl)propylacetate
CC(=O)OCCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)(N+)(=O)(O)
CC(=O)OCCCn1c(=O)c2cccc3c2c(c1=O)cc(c3)(N+)(=O)(O)
InChI=1SC17H14N2O6c110(20)257361816(21)1352411812(19(23)24)914(15(11)13)17(18)22h24589H367H21H3
MFCD00607448
ZINC000005227049
ZINC5227049
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