Vitas-M small molecule compound
methyl 5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK842769
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1cc(C)cc(c1)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 C15H15N3O4 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O4/c1-7-4-8(2)6-9(5-7)18-13(19)10-11(14(18)20)16-17-12(10)15(21)22-3/h4-6,10-11,16H,1-3H3InChIKey
KNLOLCCCXCVSNW-UHFFFAOYSA-NSynonyms
957314-10-2957314102
CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OC)C
InChI=1SC15H15N3O4c1748(2)69(57)1813(19)1011(14(18)20)161712(10)15(21)223h46101116H13H3
methyl5(35dimethylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(35DIMETHYLPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD03300151
ZINC000017886112
ZINC000100639779
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