Vitas-M small molecule compound

(4aR,4bS,7aR,8S)-6-(4-chlorophenyl)-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
STK558744
SMILES Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

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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 C22H15ClFN3O3 MW 423.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClFN3O3/c23-13-5-9-15(10-6-13)26-21(29)17-16-2-1-11-25-27(16)19(18(17)22(26)30)20(28)12-3-7-14(24)8-4-12/h1-11,16-19H/t16-,17-,18-,19+/m1/s1
InChIKey
NOUCSULMUOKRQB-MKXGPGLRSA-N
Synonyms
1014103-68-4
(3aR4S9aR9bS)2(4chlorophenyl)4(4fluorobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aR4bS7aR8S)6(4chlorophenyl)8((4fluorophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aR4bS7aR8S)6(4chlorophenyl)8(4fluorobenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014103684
C1=CC2C3C(C(N2N=C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
Fc1ccc(cc1)C(=O)(C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)Cl
InChI=1SC22H15ClFN3O3c23135915(10613)2621(29)171621112527(16)19(18(17)22(26)30)20(28)123714(24)8412h1111619Ht16171819+m1s1
MFCD18243107
ZINC000009191560
ZINC09191560
ZINC9191560

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Available files

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