Vitas-M small molecule compound
(4bR,7aS,8R)-6-(2-methoxy-5-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK549648
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1)[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 C23H18N4O6 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O6/c1-33-17-10-9-14(27(31)32)12-16(17)25-22(29)18-15-8-5-11-24-26(15)20(19(18)23(25)30)21(28)13-6-3-2-4-7-13/h2-12,15,18-20H,1H3/t15?,18-,19-,20+/m0/s1InChIKey
BQZZHVMILDBJOU-VCPZZJCDSA-NSynonyms
1013794-27-8(3aS4R9bR)4benzoyl2(2methoxy5nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)6(2methoxy5nitrophenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)8benzoyl6(2methoxy5nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1013794278
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC=CC=C5
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1C2C=CC=N1)C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC23H18N4O6c1331710914(27(31)32)1216(17)2522(29)181585112426(15)20(19(18)23(25)30)21(28)136324713h212151820H1H3t15?181920+m0s1
MFCD18242484
ZINC000017836255
ZINC000018102168
Check stock
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Check stock on Vitas-MAvailable files
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