Vitas-M small molecule compound
(8R,8aS,11aR)-8-(2,2-dimethylpropanoyl)-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK552473
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C
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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(19-16-7-5-4-6-13(16)12-25-27(19)20)22(30)26(23(18)31)14-8-10-15(11-9-14)28(32)33/h4-12,17-20H,1-3H3/t17-,18+,19?,20-/m1/s1InChIKey
NGRVVTWGWQTRJM-JIRNRHONSA-NSynonyms
1014103-22-0(8R8aS11aR)10(4nitrophenyl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)8(22dimethylpropanoyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014103220
CC(C)(C)C(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC24H22N4O5c124(23)21(29)201817(1916754613(16)122527(19)20)22(30)26(23(18)31)1481015(11914)28(32)33h4121720H13H3t1718+19?20m1s1
MFCD18242652
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@@H)(N1C2c2ccccc2C=N1)C(=O)C(C)(C)C
ZINC000009461169
ZINC000009461170
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.