Vitas-M small molecule compound

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

Catalog ID
STK550832
SMILES COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])cccc3

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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 C27H20N4O6 MW 496.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O6/c1-37-19-12-6-15(7-13-19)25(32)24-22-21(23-20-5-3-2-4-16(20)14-28-30(23)24)26(33)29(27(22)34)17-8-10-18(11-9-17)31(35)36/h2-14,21-24H,1H3/t21-,22+,23?,24-/m1/s1
InChIKey
HTTAJJBTILUYAS-MBDJBHLASA-N
Synonyms
1013750-79-2
(8R8aS11aR)8((4methoxyphenyl)carbonyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
(8R8aS11aR)8(4methoxybenzoyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine911(8aH10H)dione
1013750792
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1)C(=O)(C@@H)1N2N=Cc3c(C2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))cccc3
InChI=1SC27H20N4O6c1371912615(71319)25(32)242221(2320532416(20)142830(23)24)26(33)29(27(22)34)1781018(11917)31(35)36h2142124H1H3t2122+23?24m1s1
MFCD18242546
ZINC000009428060
ZINC000009428061

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.