Vitas-M small molecule compound

5-(4-chlorophenyl)-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
STL174842
SMILES Clc1ccc(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 C27H20ClN7O5 MW 557.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN7O5/c28-18-8-12-19(13-9-18)33-26(37)24-25(27(33)38)32(31-29-24)15-23(36)34-22(17-6-10-20(11-7-17)35(39)40)14-21(30-34)16-4-2-1-3-5-16/h1-13,22,24-25H,14-15H2
InChIKey
CSPYZJPYMMHLHI-UHFFFAOYSA-N
Synonyms
1024517-60-9
1024517609
5(4chlorophenyl)1(2(5(4nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(4CHLOROPHENYL)3(2(3(4NITROPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
C1C(N(N=C1C2=CC=CC=C2)C(=O)CN3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)N=N3)C6=CC=C(C=C6)(N+)(=O)(O)
Clc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=N2)CC(=O)N1N=C(CC1c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC27H20ClN7O5c281881219(13918)3326(37)2425(27(33)38)32(312924)1523(36)3422(1761020(11717)35(39)40)1421(3034)164213516h113222425H1415H2
MFCD03073996
ZINC000102830801
ZINC000245227336

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Available files

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