Vitas-M small molecule compound
ethyl 5-(3,5-dimethylphenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL004391
SMILES CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cc(C)cc(c1)C)N=O
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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/c1-4-25-16(23)12-11-13(20(17-12)18-24)15(22)19(14(11)21)10-6-8(2)5-9(3)7-10/h5-7,11,13H,4H2,1-3H3InChIKey
KLEYYSKCIOEDSL-UHFFFAOYSA-NSynonyms
1008666-46-31008666463
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)N=O
ethyl5(35dimethylphenyl)1nitroso46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(35DIMETHYLPHENYL)1NITROSO46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H16N4O5c142516(23)121113(20(1712)1824)15(22)19(14(11)21)1068(2)59(3)710h571113H4H213H3
MFCD03694131
ZINC000005076575
ZINC000101021491
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