Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-6-(3-fluorophenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK552560
SMILES Fc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1
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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 C22H15FN4O5 MW 434.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15FN4O5/c23-13-5-2-6-14(11-13)25-21(29)17-16-8-3-9-24-26(16)19(18(17)22(25)30)20(28)12-4-1-7-15(10-12)27(31)32/h1-11,16-19H/t16-,17-,18-,19+/m0/s1InChIKey
VJMJZTNTJYQAQD-CADBVGFASA-NSynonyms
1013794-43-8(3aS4R9aS9bR)2(3fluorophenyl)4(3nitrobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(3fluorophenyl)8((3nitrophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)6(3fluorophenyl)8(3nitrobenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013794438
C1=CC2C3C(C(N2N=C1)C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)N(C3=O)C5=CC(=CC=C5)F
Fc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2cccc(c2)(N+)(=O)(O))N=CC=C1
InChI=1SC22H15FN4O5c231352614(1113)2521(29)17168392426(16)19(18(17)22(25)30)20(28)1241715(1012)27(31)32h1111619Ht16171819+m0s1
MFCD18242659
ZINC000018066826
ZINC18066826
Check stock
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Check stock on Vitas-MAvailable files
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