Vitas-M small molecule compound

ethyl 5-(3-acetylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK017217
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1cccc(c1)C(=O)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 C16H15N3O5 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5/c1-3-24-16(23)13-11-12(17-18-13)15(22)19(14(11)21)10-6-4-5-9(7-10)8(2)20/h4-7,11-12,17H,3H2,1-2H3
InChIKey
KWBZLUOWYVMAQF-UHFFFAOYSA-N
Synonyms
956573-64-1
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1cccc(c1)C(=O)C
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)C
ethyl5(3acetylphenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(3ACETYLPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
Registry IDs
MFCD03252184
ZINC000000535520
ZINC000100166149

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Available files

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