Vitas-M small molecule compound

methyl 5-(3-bromophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK544571
SMILES COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1)Br)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 C14H12BrN3O4 MW 366.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O4/c1-14-9(10(16-17-14)12(20)22-2)11(19)18(13(14)21)8-5-3-4-7(15)6-8/h3-6,9,17H,1-2H3
InChIKey
FDSAAQCNOZPNJZ-UHFFFAOYSA-N
Synonyms
357414-74-5
357414745
CC12C(C(=NN1)C(=O)OC)C(=O)N(C2=O)C3=CC(=CC=C3)Br
InChI=1SC14H12BrN3O4c1149(10(161714)12(20)222)11(19)18(13(14)21)85347(15)68h36917H12H3
methyl5(3bromophenyl)6amethyl46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3BROMOPHENYL)6AMETHYL46DIOXO13ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03011040
ZINC000000637598
ZINC000004664444

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Available files

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