Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-6-(2,5-dimethoxyphenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK558693
SMILES COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)OC
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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 C22H25N3O5 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5/c1-22(2,3)19(26)18-17-16(13-7-6-10-23-25(13)18)20(27)24(21(17)28)14-11-12(29-4)8-9-15(14)30-5/h6-11,13,16-18H,1-5H3/t13-,16-,17-,18+/m0/s1InChIKey
APZLAPIVUFZDQS-XDKFSHSGSA-NSynonyms
1212463-71-2(3aS4R9aS9bR)2(25dimethoxyphenyl)4(22dimethylpropanoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(25dimethoxyphenyl)8(22dimethylpropanoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)6(25dimethoxyphenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212463712
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=C(C=CC(=C4)OC)OC
COc1ccc(c(c1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=CC=N1)C(=O)C(C)(C)C)OC
InChI=1SC22H25N3O5c122(23)19(26)181716(1376102325(13)18)20(27)24(21(17)28)141112(294)8915(14)305h611131618H15H3t13161718+m0s1
MFCD18243103
ZINC000015987463
ZINC15987463
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.