Vitas-M small molecule compound
(4aS,4bR,7aS,8R)-8-[(3-nitrophenyl)carbonyl]-6-phenyl-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Catalog ID
STK552038
SMILES O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1[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 C22H16N4O5 MW 416.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5/c27-20(13-6-4-9-15(12-13)26(30)31)19-18-17(16-10-5-11-23-25(16)19)21(28)24(22(18)29)14-7-2-1-3-8-14/h1-12,16-19H/t16-,17-,18-,19+/m0/s1InChIKey
JOOSAWWFWJAWFC-CADBVGFASA-NSynonyms
1212441-41-2(3aS4R9aS9bR)4(3nitrobenzoyl)2phenyl3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine13dione
(4aS4bR7aS8R)8((3nitrophenyl)carbonyl)6phenyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
(4aS4bR7aS8R)8(3nitrobenzoyl)6phenyl7a8dihydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine57(4bH6H)dione
1212441412
C1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC22H16N4O5c2720(1364915(1213)26(30)31)191817(16105112325(16)19)21(28)24(22(18)29)147213814h1121619Ht16171819+m0s1
MFCD18242621
O=C1N(c2ccccc2)C(=O)(C@@H)2(C@H)1(C@@H)(N1(C@H)2C=CC=N1)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000017889099
ZINC17889099
Check stock
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Check stock on Vitas-MAvailable files
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