Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK558451
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2
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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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-24(2,3)21(29)20-18-17(19-16-10-5-4-7-13(16)12-25-27(19)20)22(30)26(23(18)31)14-8-6-9-15(11-14)28(32)33/h4-12,17-20H,1-3H3/t17-,18+,19+,20-/m0/s1InChIKey
IOOAFZCJSSRLCE-NMLBUPMWSA-NSynonyms
1212468-35-3(8S8aR11aS11bS)10(3nitrophenyl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS11bS)8(22dimethylpropanoyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1212468353
CC(C)(C)C(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC24H22N4O5c124(23)21(29)201817(19161054713(16)122527(19)20)22(30)26(23(18)31)1486915(1114)28(32)33h4121720H13H3t1718+19+20m0s1
MFCD18243091
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@@H)1N((C@@H)2C(=O)C(C)(C)C)N=Cc2c1cccc2
ZINC000015987397
ZINC15987397
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.