Vitas-M small molecule compound

3-acetyl-1-(4-bromophenyl)-5-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione

Catalog ID
STK759280
SMILES COc1ccccc1N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)Br)C(=O)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 C20H16BrN3O4 MW 442.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O4/c1-11(25)17-16-18(24(22-17)13-9-7-12(21)8-10-13)20(27)23(19(16)26)14-5-3-4-6-15(14)28-2/h3-10,16,18H,1-2H3
InChIKey
SJBCFKTVGHHJJO-UHFFFAOYSA-N
Synonyms
296243-30-6
(3AS6AR)3ACETYL1(4BROMOPHENYL)5(2METHOXYPHENYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE46(1H5H)DIONE
(3AS6AS)3ACETYL1(4BROMOPHENYL)5(2METHOXYPHENYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE46(1H5H)DIONE
296243306
3acetyl1(4bromophenyl)5(2methoxyphenyl)16adihydropyrrolo(34c)pyrazole46(3aH5H)dione
3acetyl1(4bromophenyl)5(2methoxyphenyl)3a6adihydropyrrolo(34c)pyrazole46(1H5H)dione
3ACETYL1(4BROMOPHENYL)5(2METHOXYPHENYL)3A6ADIHYDROPYRROLO(34C)PYRAZOLE46DIONE
CC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)Br
InChI=1SC20H16BrN3O4c111(25)171618(24(2217)139712(21)81013)20(27)23(19(16)26)14534615(14)282h3101618H12H3
MFCD01461173
ZINC000008424503
ZINC000097020872

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Available files

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