Vitas-M small molecule compound
(8S,8aR,11aS)-10-(2-methyl-5-nitrophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK546418
SMILES O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])cccc3)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 C28H20N4O7 MW 524.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O7/c1-15-9-10-19(32(38)39)14-21(15)30-27(34)22-23(28(30)35)25(26(33)17-6-4-7-18(13-17)31(36)37)29-12-11-16-5-2-3-8-20(16)24(22)29/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
YDJOMMZUXPHZHJ-NPZNXQLHSA-NSynonyms
956929-82-1(8S8aR11aS)10(2methyl5nitrophenyl)8((3nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(2methyl5nitrophenyl)8(3nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956929821
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC28H20N4O7c11591019(32(38)39)1421(15)3027(34)2223(28(30)35)25(26(33)1764718(1317)31(36)37)29121116523820(16)24(22)29h2142225H1H3t2223+24?25m0s1
MFCD18242286
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))cccc3)c1cccc(c1)(N+)(=O)(O)
ZINC000100838380
ZINC000100838383
Check stock
See real-time availability and sample size for STK546418 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.