Vitas-M small molecule compound
1,1'-(oxydibenzene-4,1-diyl)bis(3-tert-butyl-1H-tetrazol-3-ium)
Catalog ID
STK028759
SMILES CC([n+]1ncn(n1)c1ccc(cc1)Oc1ccc(cc1)n1cn[n+](n1)C(C)(C)C)(C)C
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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 C22H28N8O MW 420.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N8O/c1-21(2,3)29-23-15-27(25-29)17-7-11-19(12-8-17)31-20-13-9-18(10-14-20)28-16-24-30(26-28)22(4,5)6/h7-16H,1-6H3/q+2InChIKey
CIKLTFHYQPWHSE-UHFFFAOYSA-NSynonyms
11(OXYDIBENZENE41DIYL)BIS(3TERTBUTYL1HTETRAZOL3IUM)
3TERTBUTYL1(4(4(3TERTBUTYLTETRAZOL1IUM1YL)PHENOXY)PHENYL)TETRAZOL1IUM
CC((n+)1ncn(n1)c1ccc(cc1)Oc1ccc(cc1)n1cn(n+)(n1)C(C)(C)C)(C)C
CC(C)(C)N1N=C(N+)(=N1)C2=CC=C(C=C2)OC3=CC=C(C=C3)(N+)4=NN(N=C4)C(C)(C)C
InChI=1SC22H28N8Oc121(23)29231527(2529)1771119(12817)312013918(101420)28162430(2628)22(45)6h716H16H3q+2
MFCD09267163
STK028759
ZINC000004602952
ZINC04602952
ZINC4602952
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