Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK555447
SMILES O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C21H22N4O5 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5/c1-11-7-8-12(25(29)30)10-14(11)23-19(27)15-13-6-5-9-22-24(13)17(16(15)20(23)28)18(26)21(2,3)4/h5-10,13,15-17H,1-4H3/t13-,15-,16-,17+/m0/s1InChIKey
QDGKZHNFOUFZDW-QSPRXWTASA-NSynonyms
1214627-12-9(3aS4R9aS9bR)4(22dimethylpropanoyl)2(2methyl5nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(2methyl5nitrophenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(22dimethylpropanoyl)6(2methyl5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1214627129
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C(C)(C)C
InChI=1SC21H22N4O5c1117812(25(29)30)1014(11)2319(27)15136592224(13)17(16(15)20(23)28)18(26)21(23)4h510131517H14H3t13151617+m0s1
MFCD18242867
O=C1N(c2cc(ccc2C)(N+)(=O)(O))C(=O)(C@H)2(C@@H)1(C@@H)1C=CC=NN1(C@H)2C(=O)C(C)(C)C
ZINC000016033378
ZINC16033378
Check stock
See real-time availability and sample size for STK555447 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.