Vitas-M small molecule compound
N-[(E)-(3-bromo-5-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}phenyl)methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK712405
SMILES CCCCCCOc1ccc(cc1)OCCOc1c(Br)cc(cc1OCC)/C=N/n1cnnc1
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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 C25H31BrN4O4 MW 531.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31BrN4O4/c1-3-5-6-7-12-32-21-8-10-22(11-9-21)33-13-14-34-25-23(26)15-20(16-24(25)31-4-2)17-29-30-18-27-28-19-30/h8-11,15-19H,3-7,12-14H2,1-2H3/b29-17+InChIKey
GTKJQAJFWJLKPH-STBIYBPSSA-NSynonyms
(E)1(3bromo5ethoxy4(2(4hexoxyphenoxy)ethoxy)phenyl)N(124triazol4yl)methanimine
(E)N(3bromo5ethoxy4(2(4(hexyloxy)phenoxy)ethoxy)benzylidene)4H124triazol4amine
CCCCCCOC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=NN3C=NN=C3)OCC
CCCCCCOc1ccc(cc1)OCCOc1c(Br)cc(cc1OCC)C=Nn1cnnc1
InChI=1SC25H31BrN4O4c1356712322181022(11921)331314342523(26)1520(1624(25)3142)1729301827281930h8111519H371214H212H3b2917+
MFCD02986208
N((E)(3bromo5ethoxy4(2(4(hexyloxy)phenoxy)ethoxy)phenyl)methylidene)4H124triazol4amine
ZINC000100756110
ZINC102639228
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