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(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methoxy-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

Catalog ID
STK558357
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1)[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 C23H17FN4O6 MW 464.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17FN4O6/c1-34-17-9-8-14(28(32)33)11-16(17)26-22(30)18-15-3-2-10-25-27(15)20(19(18)23(26)31)21(29)12-4-6-13(24)7-5-12/h2-11,15,18-20H,1H3/t15-,18-,19-,20+/m1/s1
InChIKey
PRZYYZUUSIPASJ-XLNTUCKNSA-N
Synonyms
1014101-04-2
(3aR4S9aR9bS)4(4fluorobenzoyl)2(2methoxy5nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)8((4fluorophenyl)carbonyl)6(2methoxy5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(4fluorobenzoyl)6(2methoxy5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014101042
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(cc2)F)N=CC=C1)(N+)(=O)(O)
InChI=1SC23H17FN4O6c134179814(28(32)33)1116(17)2622(30)181532102527(15)20(19(18)23(26)31)21(29)124613(24)7512h211151820H1H3t15181920+m1s1
MFCD18243079
ZINC000009312431
ZINC09312431
ZINC9312431

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Available files

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