Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(4-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK557939
SMILES COc1ccc(cc1)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 C21H23N3O4 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4/c1-21(2,3)18(25)17-16-15(14-6-5-11-22-24(14)17)19(26)23(20(16)27)12-7-9-13(28-4)10-8-12/h5-11,14-17H,1-4H3/t14-,15-,16-,17+/m0/s1InChIKey
ZYXSFSJWOWRWDH-LUKYLMHMSA-NSynonyms
1212489-79-6(3aS4R9aS9bR)4(22dimethylpropanoyl)2(4methoxyphenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(4methoxyphenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(22dimethylpropanoyl)6(4methoxyphenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212489796
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=CC=N1)C(=O)C(C)(C)C
InChI=1SC21H23N3O4c121(23)18(25)171615(1465112224(14)17)19(26)23(20(16)27)127913(284)10812h5111417H14H3t14151617+m0s1
MFCD18243047
ZINC000018059610
ZINC18059610
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.