Vitas-M small molecule compound

3-acetyl-1,5-bis(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

Catalog ID
STK837864
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)N(N=C2C(=O)C)c1ccc(cc1)C

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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 C21H19N3O3 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3/c1-12-4-8-15(9-5-12)23-20(26)17-18(14(3)25)22-24(19(17)21(23)27)16-10-6-13(2)7-11-16/h4-11,17,19H,1-3H3
InChIKey
DFPRLVSTULKADY-UHFFFAOYSA-N
Synonyms

3acetyl15bis(4methylphenyl)3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
3ACETYL15BIS(4METHYLPHENYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE46DIONE
3acetyl15diptolyl16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
CC1=CC=C(C=C1)N2C3C(C(=N2)C(=O)C)C(=O)N(C3=O)C4=CC=C(C=C4)C
InChI=1SC21H19N3O3c1124815(9512)2320(26)1718(14(3)25)2224(19(17)21(23)27)1610613(2)71116h4111719H13H3
MFCD02235914
ZINC000004862890
ZINC000100563732

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.