Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-cyclohexyl-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
STK558402
SMILES O=C1N(C2CCCCC2)C(=O)[C@H]2[C@@H]1[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 C20H27N3O3 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3/c1-20(2,3)17(24)16-15-14(13-10-7-11-21-23(13)16)18(25)22(19(15)26)12-8-5-4-6-9-12/h7,10-16H,4-6,8-9H2,1-3H3/t13-,14-,15-,16+/m1/s1InChIKey
MWAWZGZDCJXXPC-FPCVCCKLSA-NSynonyms
1212463-47-2(3aR4S9aR9bS)2cyclohexyl4(22dimethylpropanoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6cyclohexyl8(22dimethylpropanoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)6cyclohexyl8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212463472
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4CCCCC4
InChI=1SC20H27N3O3c120(23)17(24)161514(13107112123(13)16)18(25)22(19(15)26)128546912h71016H4689H213H3t13141516+m1s1
MFCD18243084
O=C1N(C2CCCCC2)C(=O)(C@H)2(C@@H)1(C@H)(N1(C@@H)2C=CC=N1)C(=O)C(C)(C)C
ZINC000005118897
ZINC05118897
ZINC5118897
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.