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(6aS,6bR,9aS,10R)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide

Catalog ID
STK551060
SMILES O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1)Nc1ccc(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 C29H22N4O7 MW 538.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O7/c34-27(30-17-6-8-18(9-7-17)33(37)38)26-25-24(21-11-5-16-3-1-2-4-20(16)32(21)26)28(35)31(29(25)36)19-10-12-22-23(15-19)40-14-13-39-22/h1-12,15,21,24-26H,13-14H2,(H,30,34)/t21-,24-,25-,26+/m0/s1
InChIKey
OXVBHYUEBUHCBA-CPPMQADQSA-N
Synonyms
1014081-38-9
(6aS6bR9aS10R)8(23dihydro14benzodioxin6yl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
(6aS6bR9aS10R)8(23dihydrobenzo(b)(14)dioxin6yl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1014081389
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C5C=CC6=CC=CC=C6N5C(C4C3=O)C(=O)NC7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC29H22N4O7c3427(30176818(9717)33(37)38)262524(2111516312420(16)32(21)26)28(35)31(29(25)36)1910122223(1519)4014133922h11215212426H1314H2(H3034)t21242526+m0s1
MFCD18242561
O=C((C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000100883366
ZINC100883366

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Available files

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