Vitas-M small molecule compound

methyl 5-(2-ethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK709755
SMILES COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccccc1CC

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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/c1-3-8-6-4-5-7-9(8)18-13(19)10-11(14(18)20)16-17-12(10)15(21)22-2/h4-7,10-11,16H,3H2,1-2H3
InChIKey
BYXNYHPMEAWBOU-UHFFFAOYSA-N
Synonyms
956614-72-5
956614725
CCC1=CC=CC=C1N2C(=O)C3C(C2=O)NN=C3C(=O)OC
InChI=1SC15H15N3O4c13864579(8)1813(19)1011(14(18)20)161712(10)15(21)222h47101116H3H212H3
methyl5(2ethylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(2ETHYLPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD04192851
ZINC000018058162
ZINC000095481304

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.