Vitas-M small molecule compound
(4bR,7aS,8R)-6-(4-nitrophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK549328
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1
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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 C22H16N4O5 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5/c27-20(13-5-2-1-3-6-13)19-18-17(16-7-4-12-23-25(16)19)21(28)24(22(18)29)14-8-10-15(11-9-14)26(30)31/h1-12,16-19H/t16?,17-,18-,19+/m0/s1InChIKey
FLBVUNVQDLPVID-HRVKUGKESA-NSynonyms
1014060-90-2(3aS4R9bR)4benzoyl2(4nitrophenyl)3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4bR7aS8R)6(4nitrophenyl)8(phenylcarbonyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4bR7aS8R)8benzoyl6(4nitrophenyl)7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1014060902
C1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H16N4O5c2720(135213613)191817(1674122325(16)19)21(28)24(22(18)29)1481015(11914)26(30)31h1121619Ht16?171819+m0s1
MFCD18242461
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@@H)(N1C2C=CC=N1)C(=O)c1ccccc1
ZINC000017953011
ZINC000018203971
Check stock
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Check stock on Vitas-MAvailable files
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