Vitas-M small molecule compound

(8S,8aR,11aS,11bS)-8-acetyl-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione

Catalog ID
STK554546
SMILES CC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)[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 C21H16N4O5 MW 404.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5/c1-11(26)18-16-17(19-15-5-3-2-4-12(15)10-22-24(18)19)21(28)23(20(16)27)13-6-8-14(9-7-13)25(29)30/h2-10,16-19H,1H3/t16-,17+,18-,19-/m1/s1
InChIKey
NBKPSVBOLWSLHR-FCGDIQPGSA-N
Synonyms
1212462-40-2
(8S8aR11aS11bS)8acetyl10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1212462402
CC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1N=Cc1c2cccc1)c1ccc(cc1)(N+)(=O)(O)
CC(=O)C1C2C(C3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H16N4O5c111(26)181617(1915532412(15)102224(18)19)21(28)23(20(16)27)136814(9713)25(29)30h2101619H1H3t1617+1819m1s1
MFCD18242810
ZINC000006262475
ZINC06262475
ZINC6262475

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Available files

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