Vitas-M small molecule compound
(8S,8aR,11aS)-10-(2-methoxy-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
STK548000
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)c1cccc(c1)[N+](=O)[O-])[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 C28H20N4O8 MW 540.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O8/c1-40-21-10-9-18(32(38)39)14-20(21)30-27(34)22-23(28(30)35)25(26(33)16-6-4-7-17(13-16)31(36)37)29-12-11-15-5-2-3-8-19(15)24(22)29/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
DETGABFKQKLPBE-NPZNXQLHSA-NSynonyms
956917-70-7(8S8aR11aS)10(2methoxy5nitrophenyl)8((3nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(2methoxy5nitrophenyl)8(3nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956917707
COC1=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)
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1cccc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC28H20N4O8c1402110918(32(38)39)1420(21)3027(34)2223(28(30)35)25(26(33)1664717(1316)31(36)37)29121115523819(15)24(22)29h2142225H1H3t2223+24?25m0s1
MFCD18242389
ZINC000100854099
ZINC000100854101
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.