Vitas-M small molecule compound
3-methyl-5-(methylsulfanyl)-N-[(E)-{5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STL173420
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1c(Cl)cc(cc1Cl)Cl)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 C16H13Cl3N4O2S MW 431.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N4O2S/c1-9-21-22-16(26-2)23(9)20-7-11-3-4-12(25-11)8-24-15-13(18)5-10(17)6-14(15)19/h3-7H,8H2,1-2H3/b20-7+InChIKey
XJIFKJVVQKMKPO-IFRROFPPSA-NSynonyms
866741-89-1(E)N(3methyl5methylsulfanyl124triazol4yl)1(5((246trichlorophenoxy)methyl)furan2yl)methanimine
3methyl5(methylsulfanyl)N((E)(5((246trichlorophenoxy)methyl)furan2yl)methylidene)4H124triazol4amine
866741891
CC1=NN=C(N1N=CC2=CC=C(O2)COC3=C(C=C(C=C3Cl)Cl)Cl)SC
CSc1nnc(n1N=Cc1ccc(o1)COc1c(Cl)cc(cc1Cl)Cl)C
InChI=1SC16H13Cl3N4O2Sc19212216(262)23(9)207113412(2511)8241513(18)510(17)614(15)19h37H8H212H3b207+
MFCD06196035
ZINC000036611457
ZINC96576865
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