Vitas-M small molecule compound

(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(naphthalen-1-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

Catalog ID
STK558124
SMILES O=C1N(c2cccc3c2cccc3)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=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 C24H23N3O3 MW 401.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O3/c1-24(2,3)21(28)20-19-18(17-12-7-13-25-27(17)20)22(29)26(23(19)30)16-11-6-9-14-8-4-5-10-15(14)16/h4-13,17-20H,1-3H3/t17-,18-,19-,20+/m0/s1
InChIKey
JIHQJIGEGIXXJB-LWYYNNOASA-N
Synonyms
1212448-77-5
(3aS4R9aS9bR)4(22dimethylpropanoyl)2naphthalen1yl3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(naphthalen1yl)8pivaloyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(22dimethylpropanoyl)6(naphthalen1yl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212448775
CC(C)(C)C(=O)C1C2C(C3N1N=CC=C3)C(=O)N(C2=O)C4=CC=CC5=CC=CC=C54
InChI=1SC24H23N3O3c124(23)21(28)201918(17127132527(17)20)22(29)26(23(19)30)161169148451015(14)16h4131720H13H3t17181920+m0s1
MFCD18243065
O=C1N(c2cccc3c2cccc3)C(=O)(C@H)2(C@@H)1(C@@H)1C=CC=NN1(C@H)2C(=O)C(C)(C)C
ZINC000018178308
ZINC18178308

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.