Vitas-M small molecule compound

ethyl 1-acetyl-7-(3,5-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate

Catalog ID
STK616386
SMILES CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cc(C)cc(c1)C)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 C19H21N3O5 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5/c1-5-27-17(25)15-9-19(22(20-15)13(4)23)10-16(24)21(18(19)26)14-7-11(2)6-12(3)8-14/h6-8H,5,9-10H2,1-4H3
InChIKey
PMOQUPQTGPGSGF-UHFFFAOYSA-N
Synonyms
796880-21-2
1ACETYL7(35DIMETHYLPHENYL)68DIOXO127TRIAZASPIRO(44)NON2ENE3CARBOXYLICACIDETHYLESTER
796880212
CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)C(=O)C
ethyl1acetyl7(35dimethylphenyl)68dioxo127triazaspiro(44)non2ene3carboxylate
ETHYL4ACETYL8(35DIMETHYLPHENYL)79DIOXO348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
InChI=1SC19H21N3O5c152717(25)15919(22(2015)13(4)23)1016(24)21(18(19)26)14711(2)612(3)814h68H5910H214H3
MFCD03670124
ZINC000005022397
ZINC000005022398

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Available files

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