Vitas-M small molecule compound
methyl 5-(4-chloro-3-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK777298
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(c(c1)F)Cl
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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 C13H9ClFN3O4 MW 325.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9ClFN3O4/c1-22-13(21)10-8-9(16-17-10)12(20)18(11(8)19)5-2-3-6(14)7(15)4-5/h2-4,8-9,16H,1H3InChIKey
ZJWWOUJLQVCDFK-UHFFFAOYSA-NSynonyms
956352-19-5956352195
COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)F
InChI=1SC13H9ClFN3O4c12213(21)1089(161710)12(20)18(11(8)19)5236(14)7(15)45h248916H1H3
methyl5(4chloro3fluorophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4CHLORO3FLUOROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03287361
ZINC000018044698
ZINC000100166205
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