Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(2-fluorophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK555933
SMILES O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H]1N([C@H]2C(=O)C(C)(C)C)N=CC=C1
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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 C20H20FN3O3 MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O3/c1-20(2,3)17(25)16-15-14(13-9-6-10-22-24(13)16)18(26)23(19(15)27)12-8-5-4-7-11(12)21/h4-10,13-16H,1-3H3/t13-,14-,15-,16+/m0/s1InChIKey
OTVBENCTKQALNB-YHUYYLMFSA-NSynonyms
1212465-11-6(3aS4R9aS9bR)4(22dimethylpropanoyl)2(2fluorophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(2fluorophenyl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(22dimethylpropanoyl)6(2fluorophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212465116
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=CC=CC=C4F
InChI=1SC20H20FN3O3c120(23)17(25)161514(1396102224(13)16)18(26)23(19(15)27)12854711(12)21h4101316H13H3t13141516+m0s1
MFCD18242900
O=C1(C@H)2(C@@H)(C(=O)N1c1ccccc1F)(C@H)1N((C@H)2C(=O)C(C)(C)C)N=CC=C1
ZINC000018043642
ZINC18043642
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.