Vitas-M small molecule compound

5-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

Catalog ID
STL233400
SMILES Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)N(N=C2c1ccc(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 C25H20N4O4 MW 440.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4/c1-15-8-13-20(16(2)14-15)27-24(30)21-22(17-9-11-19(12-10-17)29(32)33)26-28(23(21)25(27)31)18-6-4-3-5-7-18/h3-14,21,23H,1-2H3
InChIKey
UZMHWRCYDRIPMH-UHFFFAOYSA-N
Synonyms

(3aS6aS)5(24dimethylphenyl)3(4nitrophenyl)1phenyl16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
5(24dimethylphenyl)3(4nitrophenyl)1phenyl3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
5(24DIMETHYLPHENYL)3(4NITROPHENYL)1PHENYL3A6ADIHYDROPYRROLO(34C)PYRAZOLE46DIONE
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C
Cc1ccc(c(c1)C)N1C(=O)(C@H)2(C@@H)(C1=O)N(N=C2c1ccc(cc1)(N+)(=O)(O))c1ccccc1
Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)N(N=C2c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC25H20N4O4c11581320(16(2)1415)2724(30)2122(1791119(121017)29(32)33)2628(23(21)25(27)31)186435718h3142123H12H3
MFCD04224768
ZINC000100862674
ZINC000101344645

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Available files

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