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(3aS,4R,9aS,9bR)-2-(2-methoxy-5-nitrophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile

Catalog ID
STK553727
SMILES N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cc(ccc1OC)[N+](=O)[O-])C(=O)c1cccc(c1)[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 C25H17N5O8 MW 515.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N5O8/c1-38-19-6-5-16(30(36)37)11-17(19)28-24(32)20-18-9-13(12-26)7-8-27(18)22(21(20)25(28)33)23(31)14-3-2-4-15(10-14)29(34)35/h2-11,18,20-22H,1H3/t18-,20-,21-,22+/m0/s1
InChIKey
WPJSCVOHMKPYEI-JKLQHZFJSA-N
Synonyms
1014080-90-0
(3aS4R9aS9bR)2(2methoxy5nitrophenyl)4((3nitrophenyl)carbonyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(2methoxy5nitrophenyl)4(3nitrobenzoyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(2methoxy5nitrophenyl)4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(34a)indolizine8carbonitrile
1014080900
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C#N
InChI=1SC25H17N5O8c138196516(30(36)37)1117(19)2824(32)2018913(1226)7827(18)22(21(20)25(28)33)23(31)1432415(1014)29(34)35h211182022H1H3t18202122+m0s1
MFCD18242739
N#CC1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1cc(ccc1OC)(N+)(=O)(O))C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000101024840
ZINC101024840

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Available files

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