Vitas-M small molecule compound
diethyl 1,1'-[methanediylbis(imino-1,2,5-oxadiazole-4,3-diyl)]bis(5-methyl-1H-1,2,3-triazole-4-carboxylate)
Catalog ID
STK766671
SMILES CCOC(=O)c1nnn(c1C)c1nonc1NCNc1nonc1n1nnc(c1C)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 C17H20N12O6 MW 488.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N12O6/c1-5-32-16(30)10-8(3)28(26-20-10)14-12(22-34-24-14)18-7-19-13-15(25-35-23-13)29-9(4)11(21-27-29)17(31)33-6-2/h5-7H2,1-4H3,(H,18,22)(H,19,23)InChIKey
RFMIGBYXVBNCBY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2NCNC3=NON=C3N4C(=C(N=N4)C(=O)OCC)C)C
diethyl11(methanediylbis(imino125oxadiazole43diyl))bis(5methyl1H123triazole4carboxylate)
ETHYL1(4(((4(4ETHOXYCARBONYL5METHYLTRIAZOL1YL)125OXADIAZOL3YL)AMINO)METHYLAMINO)125OXADIAZOL3YL)5METHYLTRIAZOLE4CARBOXYLATE
InChI=1SC17H20N12O6c153216(30)108(3)28(262010)1412(22342414)187191315(25352313)299(4)11(212729)17(31)3362h57H214H3(H1822)(H1923)
MFCD03017892
ZINC000008846367
ZINC08846367
ZINC8846367
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