Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-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
STK556403
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)[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 C21H22N4O6 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O6/c1-21(2,3)18(26)17-16-15(12-6-5-9-22-24(12)17)19(27)23(20(16)28)13-10-11(25(29)30)7-8-14(13)31-4/h5-10,12,15-17H,1-4H3/t12-,15-,16-,17+/m0/s1InChIKey
NBMDFEYMLHFTAW-OSMBCOQSSA-NSynonyms
1212469-94-7(3aS4R9aS9bR)4(22dimethylpropanoyl)2(2methoxy5nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(2methoxy5nitrophenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(22dimethylpropanoyl)6(2methoxy5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212469947
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=C(C=CC(=C4)(N+)(=O)(O))OC
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=CC=N1)C(=O)C(C)(C)C)(N+)(=O)(O)
InChI=1SC21H22N4O6c121(23)18(26)171615(126592224(12)17)19(27)23(20(16)28)131011(25(29)30)7814(13)314h510121517H14H3t12151617+m0s1
MFCD18242939
ZINC000018061629
ZINC18061629
Check stock
See real-time availability and sample size for STK556403 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.