Vitas-M small molecule compound

5-(furan-2-yl)-4-{[(E)-{5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173236
SMILES Clc1cc(Cl)c(c(c1)Cl)OCc1ccc(o1)/C=N/n1c(S)nnc1c1ccco1

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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 C18H11Cl3N4O3S MW 469.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11Cl3N4O3S/c19-10-6-13(20)16(14(21)7-10)27-9-12-4-3-11(28-12)8-22-25-17(23-24-18(25)29)15-2-1-5-26-15/h1-8H,9H2,(H,24,29)/b22-8+
InChIKey
IJLPIVKWFSKLEQ-GZIVZEMBSA-N
Synonyms
866737-94-2
3(furan2yl)4((E)(5((246trichlorophenoxy)methyl)furan2yl)methylideneamino)1H124triazole5thione
5(furan2yl)4(((E)(5((246trichlorophenoxy)methyl)furan2yl)methylidene)amino)4H124triazole3thiol
866737942
C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)COC4=C(C=C(C=C4Cl)Cl)Cl
Clc1cc(Cl)c(c(c1)Cl)OCc1ccc(o1)C=Nn1c(S)nnc1c1ccco1
InChI=1SC18H11Cl3N4O3Sc1910613(20)16(14(21)710)279124311(2812)8222517(232418(25)29)152152615h18H9H2(H2429)b228+
MFCD06195949
ZINC000020617907
ZINC96577597

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Available files

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