Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-6-(2,4-dimethylphenyl)-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
STK557826
SMILES Cc1ccc(c(c1)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 C22H25N3O3 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3/c1-12-8-9-14(13(2)11-12)24-20(27)16-15-7-6-10-23-25(15)18(17(16)21(24)28)19(26)22(3,4)5/h6-11,15-18H,1-5H3/t15-,16-,17-,18+/m0/s1InChIKey
IPZGPHQTJJWIDX-XLAORIBOSA-NSynonyms
1212455-80-5(3aS4R9aS9bR)2(24dimethylphenyl)4(22dimethylpropanoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(24dimethylphenyl)8(22dimethylpropanoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)6(24dimethylphenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212455805
CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C(C)(C)C)C
Cc1ccc(c(c1)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=1SC22H25N3O3c1128914(13(2)1112)2420(27)161576102325(15)18(17(16)21(24)28)19(26)22(34)5h6111518H15H3t15161718+m0s1
MFCD18243034
ZINC000017778532
ZINC17778532
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.