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5-(4-methylphenyl)-1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STL174841
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C(CC1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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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 C28H23N7O5 MW 537.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N7O5/c1-17-7-11-20(12-8-17)33-27(37)25-26(28(33)38)32(31-29-25)16-24(36)34-23(19-9-13-21(14-10-19)35(39)40)15-22(30-34)18-5-3-2-4-6-18/h2-14,23,25-26H,15-16H2,1H3
InChIKey
IBDAGWQIDOGNGC-UHFFFAOYSA-N
Synonyms
494746-29-1
1(2(5(4NITROPHENYL)3PHENYL45DIHYDRO1HPYRAZOL1YL)2OXOETHYL)5(4METHYLPHENYL)3A6ADIHYDROPYRROLO(34D)(123)TRIAZOLE46(1H5H)DIONE
494746291
5(4methylphenyl)1(2(5(4nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(4METHYLPHENYL)3(2(3(4NITROPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O)
Cc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C(CC1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC28H23N7O5c11771120(12817)3327(37)2526(28(33)38)32(312925)1624(36)3423(1991321(141019)35(39)40)1522(3034)185324618h214232526H1516H21H3
MFCD03074007
ZINC000008454783
ZINC000102831011

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Available files

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