Vitas-M small molecule compound
ethyl 10-(2-methyl-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Catalog ID
STL240298
SMILES CCOC(=O)C1C2C(=O)N(C(=O)C2C2N1N=Cc1c2cccc1)c1cc(ccc1C)[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 C23H20N4O6 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6/c1-3-33-23(30)20-18-17(19-15-7-5-4-6-13(15)11-24-26(19)20)21(28)25(22(18)29)16-10-14(27(31)32)9-8-12(16)2/h4-11,17-20H,3H2,1-2H3InChIKey
MPUOWZKNKMABMX-UHFFFAOYSA-NSynonyms
(8S8aR11aS11bS)ethyl10(2methyl5nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxylate
CCOC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1N=Cc1c2cccc1)c1cc(ccc1C)(N+)(=O)(O)
CCOC(=O)C1C2C(=O)N(C(=O)C2C2N1N=Cc1c2cccc1)c1cc(ccc1C)(N+)(=O)(O)
CCOC(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=CC(=C5)(N+)(=O)(O))C
ethyl10(2methyl5nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxylate
InChI=1SC23H20N4O6c133323(30)201817(1915754613(15)112426(19)20)21(28)25(22(18)29)161014(27(31)32)9812(16)2h4111720H3H212H3
MFCD07794464
ZINC000009042605
ZINC000248109385
Check stock
See real-time availability and sample size for STL240298 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.