Vitas-M small molecule compound
methyl 7-(4-ethylphenyl)-1-nitroso-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Catalog ID
STL002251
SMILES CCc1ccc(cc1)N1C(=O)CC2(C1=O)CC(=NN2N=O)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 C16H16N4O5 MW 344.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5/c1-3-10-4-6-11(7-5-10)19-13(21)9-16(15(19)23)8-12(14(22)25-2)17-20(16)18-24/h4-7H,3,8-9H2,1-2H3InChIKey
PFDGZRNJFDKXGY-UHFFFAOYSA-NSynonyms
840459-11-2840459112
CCC1=CC=C(C=C1)N2C(=O)CC3(C2=O)CC(=NN3N=O)C(=O)OC
InChI=1SC16H16N4O5c13104611(7510)1913(21)916(15(19)23)812(14(22)252)1720(16)1824h47H389H212H3
methyl7(4ethylphenyl)1nitroso68dioxo127triazaspiro(44)non2ene3carboxylate
METHYL8(4ETHYLPHENYL)4NITROSO79DIOXO348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
MFCD03694769
ZINC000005091111
ZINC000005091115
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