Vitas-M small molecule compound

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

Catalog ID
STL003043
SMILES O=NN1N=C(CC21CC(=O)N(C2=O)c1c(C)cc(cc1C)C)C(=O)OC

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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 C17H18N4O5 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5/c1-9-5-10(2)14(11(3)6-9)20-13(22)8-17(16(20)24)7-12(15(23)26-4)18-21(17)19-25/h5-6H,7-8H2,1-4H3
InChIKey
MDBTXFSBABTISW-UHFFFAOYSA-N
Synonyms
836631-86-8
836631868
CC1=CC(=C(C(=C1)C)N2C(=O)CC3(C2=O)CC(=NN3N=O)C(=O)OC)C
InChI=1SC17H18N4O5c19510(2)14(11(3)69)2013(22)817(16(20)24)712(15(23)264)1821(17)1925h56H78H214H3
methyl1nitroso68dioxo7(246trimethylphenyl)127triazaspiro(44)non2ene3carboxylate
METHYL4NITROSO79DIOXO8(246TRIMETHYLPHENYL)348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
methyl7mesityl1nitroso68dioxo127triazaspiro(44)non2ene3carboxylate
MFCD03689006
ZINC000005065485
ZINC000005065489

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Available files

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