Vitas-M small molecule compound
diethyl 5,5'-benzene-1,3-diylbis(4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate)
Catalog ID
STL006864
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1cccc(c1)N1C(=O)C2C(C1=O)C(=NN2)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 C22H20N6O8 MW 496.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O8/c1-3-35-21(33)15-11-13(23-25-15)19(31)27(17(11)29)9-6-5-7-10(8-9)28-18(30)12-14(20(28)32)24-26-16(12)22(34)36-4-2/h5-8,11-14,23-24H,3-4H2,1-2H3InChIKey
WDGSWORCGOXPFX-UHFFFAOYSA-NSynonyms
1022811-37-51022811375
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=CC=C3)N4C(=O)C5C(C4=O)NN=C5C(=O)OCC
diethyl55(13phenylene)bis(46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate)
diethyl55benzene13diylbis(46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate)
ETHYL5(3(3ETHOXYCARBONYL46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOL5YL)PHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC22H20N6O8c133521(33)151113(232515)19(31)27(17(11)29)965710(89)2818(30)1214(20(28)32)242616(12)22(34)3642h5811142324H34H212H3
MFCD04155739
ZINC000013758263
ZINC000245312589
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