Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-6-(4-methylphenyl)-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
STK551736
SMILES Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]
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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 C23H18N4O5 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5/c1-13-7-9-15(10-8-13)25-22(29)18-17-6-3-11-24-26(17)20(19(18)23(25)30)21(28)14-4-2-5-16(12-14)27(31)32/h2-12,17-20H,1H3/t17-,18-,19-,20+/m0/s1InChIKey
NATSYMZBJWSXHG-LWYYNNOASA-NSynonyms
1014101-72-4(3aS4R9aS9bR)2(4methylphenyl)4(3nitrobenzoyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)6(4methylphenyl)8((3nitrophenyl)carbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(3nitrobenzoyl)6(ptolyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014101724
CC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=CC=N1)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18N4O5c1137915(10813)2522(29)181763112426(17)20(19(18)23(25)30)21(28)1442516(1214)27(31)32h2121720H1H3t17181920+m0s1
MFCD18242603
ZINC000018099958
ZINC18099958
Check stock
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Check stock on Vitas-MAvailable files
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