Vitas-M small molecule compound
(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-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
STK554575
SMILES Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)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/c23-12-3-7-14(8-4-12)26-20(29)19-18-17(16-2-1-11-25-28(16)19)21(30)27(22(18)31)15-9-5-13(24)6-10-15/h1-11,16-19H,(H,26,29)/t16-,17-,18-,19+/m1/s1InChIKey
FQVXJUPZAGDTDC-MKXGPGLRSA-NSynonyms
958956-11-1(3aR4S9aR9bS)N(4chlorophenyl)2(4fluorophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carboxamide
(4aR4bS7aR8S)N(4chlorophenyl)6(4fluorophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carboxamide
958956111
C1=CC2C3C(C(N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)F
Fc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=CC=N1)C(=O)Nc1ccc(cc1)Cl
InChI=1SC22H16ClFN4O3c23123714(8412)2620(29)191817(1621112528(16)19)21(30)27(22(18)31)159513(24)61015h1111619H(H2629)t16171819+m1s1
MFCD18242811
ZINC000009462753
ZINC09462753
ZINC9462753
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