Vitas-M small molecule compound
methyl 5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STK756339
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1cccc(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 C14H13N3O4 MW 287.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O4/c1-7-4-3-5-8(6-7)17-12(18)9-10(13(17)19)15-16-11(9)14(20)21-2/h3-6,9-10,15H,1-2H3InChIKey
IHKLIUBWIVJJQB-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)OC
InChI=1SC14H13N3O4c174358(67)1712(18)910(13(17)19)151611(9)14(20)212h3691015H12H3
methyl46dioxo5(mtolyl)13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
methyl5(3methylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(3METHYLPHENYL)46DIOXO353A6ATETRAHYDRO235TRIAZAPENTALENECARBOXYLATE
METHYL5(3METHYLPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD01240207
ZINC000017820638
ZINC000100059406
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