Vitas-M small molecule compound
methyl 4,6-dioxo-5-(2,4,6-trimethylphenyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK756755
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1c(C)cc(cc1C)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 C16H17N3O4 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4/c1-7-5-8(2)13(9(3)6-7)19-14(20)10-11(15(19)21)17-18-12(10)16(22)23-4/h5-6,10-11,17H,1-4H3InChIKey
IBSFJPURTCQVNL-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C(=C1)C)N2C(=O)C3C(C2=O)NN=C3C(=O)OC)C
InChI=1SC16H17N3O4c1758(2)13(9(3)67)1914(20)1011(15(19)21)171812(10)16(22)234h56101117H14H3
methyl46dioxo5(246trimethylphenyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL46DIOXO5(246TRIMETHYLPHENYL)353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
METHYL46DIOXO5(246TRIMETHYLPHENYL)3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
methyl5mesityl46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
MFCD01187970
ZINC000004481405
ZINC000100061367
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