Vitas-M small molecule compound

ethyl 6,8-dioxo-7-(2,4,6-trimethylphenyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate

Catalog ID
STK541522
SMILES CCOC(=O)C1=NNC2(C1)CC(=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 C18H21N3O4 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4/c1-5-25-16(23)13-8-18(20-19-13)9-14(22)21(17(18)24)15-11(3)6-10(2)7-12(15)4/h6-7,20H,5,8-9H2,1-4H3
InChIKey
DUTKVEAAERGGEJ-UHFFFAOYSA-N
Synonyms
384799-31-9
384799319
CCOC(=O)C1=NNC2(C1)CC(=O)N(C2=O)C3=C(C=C(C=C3C)C)C
ethyl68dioxo7(246trimethylphenyl)127triazaspiro(44)non2ene3carboxylate
ETHYL79DIOXO8(246TRIMETHYLPHENYL)348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
ethyl7mesityl68dioxo127triazaspiro(44)non2ene3carboxylate
InChI=1SC18H21N3O4c152516(23)13818(201913)914(22)21(17(18)24)1511(3)610(2)712(15)4h6720H589H214H3
MFCD03284426
ZINC000000547507
ZINC000000547508

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Available files

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