Vitas-M small molecule compound

(8S,8aR,11aS,11bS)-8-acetyl-10-(2-methyl-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione

Catalog ID
STK553814
SMILES CC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1cc(ccc1C)[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 C22H18N4O5 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5/c1-11-7-8-14(26(30)31)9-16(11)24-21(28)17-18(22(24)29)20-15-6-4-3-5-13(15)10-23-25(20)19(17)12(2)27/h3-10,17-20H,1-2H3/t17-,18+,19-,20-/m1/s1
InChIKey
FDZPDWQOFWXZEN-IYWMVGAKSA-N
Synonyms
1014081-41-4
(8S8aR11aS11bS)8acetyl10(2methyl5nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1014081414
CC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1N=Cc1c2cccc1)c1cc(ccc1C)(N+)(=O)(O)
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)C
InChI=1SC22H18N4O5c1117814(26(30)31)916(11)2421(28)1718(22(24)29)2015643513(15)102325(20)19(17)12(2)27h3101720H12H3t1718+1920m1s1
MFCD18242747
ZINC000016039102
ZINC16039102

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Available files

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