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

Catalog ID
STK557948
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

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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 C22H24N4O6 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O6/c1-11-9-14(26(30)31)15(32-5)10-13(11)24-20(28)16-12-7-6-8-23-25(12)18(17(16)21(24)29)19(27)22(2,3)4/h6-10,12,16-18H,1-5H3/t12-,16-,17-,18+/m1/s1
InChIKey
LOVGPOBXAVPMQR-BTPDRXCOSA-N
Synonyms
1013804-11-9
(3aR4S9aR9bS)4(22dimethylpropanoyl)2(5methoxy2methyl4nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6(5methoxy2methyl4nitrophenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)8(22dimethylpropanoyl)6(5methoxy2methyl4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013804119
CC1=CC(=C(C=C1N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C(C)(C)C)OC)(N+)(=O)(O)
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=CC=N1)C(=O)C(C)(C)C
InChI=1SC22H24N4O6c111914(26(30)31)15(325)1013(11)2420(28)16127682325(12)18(17(16)21(24)29)19(27)22(23)4h610121618H15H3t12161718+m1s1
MFCD18243049
ZINC000009460785
ZINC09460785
ZINC9460785

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Available files

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