Vitas-M small molecule compound
methyl 5-(4-chloro-3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK547627
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])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 C13H9ClN4O6 MW 352.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9ClN4O6/c1-24-13(21)10-8-9(15-16-10)12(20)17(11(8)19)5-2-3-6(14)7(4-5)18(22)23/h2-4,8-9,15H,1H3InChIKey
CPYTXQKVQAIXMP-UHFFFAOYSA-NSynonyms
1008983-43-41008983434
COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC13H9ClN4O6c12413(21)1089(151610)12(20)17(11(8)19)5236(14)7(45)18(22)23h248915H1H3
methyl5(4chloro3nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(4CHLORO3NITROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03301757
ZINC000004940234
ZINC000100891751
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