Vitas-M small molecule compound
ethyl 5-(4-ethoxyphenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL000949
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NN2N=O)C(=O)OCC
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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 C16H16N4O6 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O6/c1-3-25-10-7-5-9(6-8-10)19-14(21)11-12(16(23)26-4-2)17-20(18-24)13(11)15(19)22/h5-8,11,13H,3-4H2,1-2H3InChIKey
CKMMLRGATFLGEK-UHFFFAOYSA-NSynonyms
1008208-23-81008208238
CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)OCC)N=O
ethyl5(4ethoxyphenyl)1nitroso46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4ETHOXYPHENYL)1NITROSO46DIOXO3A6ADIHYDROPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC16H16N4O6c132510759(6810)1914(21)1112(16(23)2642)1720(1824)13(11)15(19)22h581113H34H212H3
MFCD03691877
ZINC000005068234
ZINC000101017036
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