Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-6-benzyl-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK555442
SMILES Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1
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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 C23H18FN3O3 MW 403.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3O3/c24-16-10-8-15(9-11-16)21(28)20-19-18(17-7-4-12-25-27(17)20)22(29)26(23(19)30)13-14-5-2-1-3-6-14/h1-12,17-20H,13H2/t17-,18-,19-,20+/m1/s1InChIKey
KTZMCSUFQFJQFN-WTGUMLROSA-NSynonyms
1212448-13-9(3aR4S9aR9bS)2benzyl4(4fluorobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6benzyl8((4fluorophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)6benzyl8(4fluorobenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212448139
C1=CC=C(C=C1)CN2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=C(C=C5)F
Fc1ccc(cc1)C(=O)(C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)Cc1ccccc1
InChI=1SC23H18FN3O3c241610815(91116)21(28)201918(1774122527(17)20)22(29)26(23(19)30)13145213614h1121720H13H2t17181920+m1s1
MFCD18242866
ZINC000005025345
ZINC05025345
ZINC5025345
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.