Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(2-methyl-5-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Catalog ID
STK535857
SMILES O=C([C@@H]1[C@H]2[C@@H]([C@@H]3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[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 C27H20N4O5 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O5/c1-15-11-12-18(31(35)36)13-20(15)29-26(33)21-22(27(29)34)24(25(32)16-7-3-2-4-8-16)30-23(21)19-10-6-5-9-17(19)14-28-30/h2-14,21-24H,1H3/t21-,22+,23+,24-/m0/s1InChIKey
DMPVFPMIFJRWHE-KEZOAJOQSA-NSynonyms
956939-55-2(8S8aR11aS11bS)10(2methyl5nitrophenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8S8aR11aS11bS)8benzoyl10(2methyl5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
956939552
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C6=CC=CC=C6
InChI=1SC27H20N4O5c115111218(31(35)36)1320(15)2926(33)2122(27(29)34)24(25(32)167324816)3023(21)191065917(19)142830h2142124H1H3t2122+23+24m0s1
MFCD18241650
O=C((C@@H)1(C@H)2(C@@H)((C@@H)3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))c1ccccc1
ZINC000018130857
ZINC18130857
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.