Vitas-M small molecule compound

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

Catalog ID
STK955603
SMILES COC(=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 C17H19N3O4 MW 329.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4/c1-9-5-10(2)14(11(3)6-9)20-13(21)8-17(16(20)23)7-12(18-19-17)15(22)24-4/h5-6,19H,7-8H2,1-4H3
InChIKey
QHAPPVDDWGQWES-UHFFFAOYSA-N
Synonyms
383898-52-0
383898520
CC1=CC(=C(C(=C1)C)N2C(=O)CC3(C2=O)CC(=NN3)C(=O)OC)C
InChI=1SC17H19N3O4c19510(2)14(11(3)69)2013(21)817(16(20)23)712(181917)15(22)244h5619H78H214H3
methyl68dioxo7(246trimethylphenyl)127triazaspiro(44)non2ene3carboxylate
METHYL79DIOXO8(246TRIMETHYLPHENYL)348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
methyl7mesityl68dioxo127triazaspiro(44)non2ene3carboxylate
MFCD03283748
ZINC000000547279
ZINC000000547280

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Available files

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