Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-6-(4-methoxyphenyl)-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
STK551371
SMILES COc1ccc(cc1)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 C23H18N4O6 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O6/c1-33-16-9-7-14(8-10-16)25-22(29)18-17-6-3-11-24-26(17)20(19(18)23(25)30)21(28)13-4-2-5-15(12-13)27(31)32/h2-12,17-20H,1H3/t17-,18-,19-,20+/m0/s1InChIKey
JTJHWDOEXZKJBA-LWYYNNOASA-NSynonyms
1014079-77-6(3aS4R9aS9bR)2(4methoxyphenyl)4(3nitrobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(4methoxyphenyl)8((3nitrophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)6(4methoxyphenyl)8(3nitrobenzoyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014079776
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)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=1SC23H18N4O6c133169714(81016)2522(29)181763112426(17)20(19(18)23(25)30)21(28)1342515(1213)27(31)32h2121720H1H3t17181920+m0s1
MFCD18242583
ZINC000018045273
ZINC18045273
Check stock
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Check stock on Vitas-MAvailable files
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