Vitas-M small molecule compound
methyl 5-(4-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK753976
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)Br
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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 C13H10BrN3O4 MW 352.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10BrN3O4/c1-21-13(20)10-8-9(15-16-10)12(19)17(11(8)18)7-4-2-6(14)3-5-7/h2-5,8-9,15H,1H3InChIKey
OHVYSJVGZSSBRG-UHFFFAOYSA-NSynonyms
329743-45-5329743455
COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br
InChI=1SC13H10BrN3O4c12113(20)1089(151610)12(19)17(11(8)18)7426(14)357h258915H1H3
methyl5(4bromophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4BROMOPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD00685616
ZINC000004134321
ZINC000100050448
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