Vitas-M small molecule compound
N-[(E)-{5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene]-3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173399
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1)Br)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 C16H15BrN4O2S MW 407.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN4O2S/c1-11-19-20-16(24-2)21(11)18-9-14-7-8-15(23-14)10-22-13-5-3-12(17)4-6-13/h3-9H,10H2,1-2H3/b18-9+InChIKey
FJXPRMJWEWTECG-GIJQJNRQSA-NSynonyms
866736-46-1(E)1(5((4bromophenoxy)methyl)furan2yl)N(3methyl5methylsulfanyl124triazol4yl)methanimine
866736461
CC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC=C(C=C3)Br)SC
CSc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1)Br)C
InChI=1SC16H15BrN4O2Sc111192016(242)21(11)189147815(2314)1022135312(17)4613h39H10H212H3b189+
MFCD06195875
N((E)(5((4bromophenoxy)methyl)furan2yl)methylidene)3methyl5(methylsulfanyl)4H124triazol4amine
ZINC000036611339
ZINC96569692
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