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

Catalog ID
STK550081
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])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 C23H17N5O8 MW 491.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O8/c1-36-17-8-7-14(28(34)35)11-16(17)25-22(30)18-15-6-3-9-24-26(15)20(19(18)23(25)31)21(29)12-4-2-5-13(10-12)27(32)33/h2-11,15,18-20H,1H3/t15-,18-,19-,20+/m0/s1
InChIKey
NDUQKTWFNDNHNA-MVJPYGJCSA-N
Synonyms
1014062-03-3
(3aS4R9aS9bR)2(2methoxy5nitrophenyl)4(3nitrobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(2methoxy5nitrophenyl)8((3nitrophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)6(2methoxy5nitrophenyl)8(3nitrobenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014062033
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2cccc(c2)(N+)(=O)(O))N=CC=C1)(N+)(=O)(O)
InChI=1SC23H17N5O8c136178714(28(34)35)1116(17)2522(30)18156392426(15)20(19(18)23(25)31)21(29)1242513(1012)27(32)33h211151820H1H3t15181920+m0s1
MFCD18242506
ZINC000018087669
ZINC18087669

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Available files

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