Vitas-M small molecule compound

(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(3-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide

Catalog ID
STK554441
SMILES O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)F)Nc1ccc(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 C22H16ClFN4O3 MW 438.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN4O3/c23-12-6-8-14(9-7-12)26-20(29)19-18-17(16-5-2-10-25-28(16)19)21(30)27(22(18)31)15-4-1-3-13(24)11-15/h1-11,16-19H,(H,26,29)/t16-,17-,18-,19+/m1/s1
InChIKey
DQEYTLQUFZOHQU-MKXGPGLRSA-N
Synonyms
958956-10-0
(3aR4S9aR9bS)N(4chlorophenyl)2(3fluorophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)N(4chlorophenyl)6(3fluorophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
958956100
C1=CC2C3C(C(N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC(=CC=C5)F
InChI=1SC22H16ClFN4O3c23126814(9712)2620(29)191817(1652102528(16)19)21(30)27(22(18)31)1541313(24)1115h1111619H(H2629)t16171819+m1s1
MFCD18242800
O=C((C@H)1N2N=CC=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)F)Nc1ccc(cc1)Cl
ZINC000009462575
ZINC09462575
ZINC9462575

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Available files

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