Vitas-M small molecule compound

N-[(E)-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL173478
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(c(c1)C)Cl)c1ccco1

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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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-3-30-21-25-24-20(19-5-4-10-27-19)26(21)23-12-16-6-7-17(29-16)13-28-15-8-9-18(22)14(2)11-15/h4-12H,3,13H2,1-2H3/b23-12+
InChIKey
MACPCAUUYFEANJ-FSJBWODESA-N
Synonyms
866564-24-1
(E)1(5((4chloro3methylphenoxy)methyl)furan2yl)N(3ethylsulfanyl5(furan2yl)124triazol4yl)methanimine
866564241
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC(=C(C=C3)Cl)C)C4=CC=CO4
CCSc1nnc(n1N=Cc1ccc(o1)COc1ccc(c(c1)C)Cl)c1ccco1
InChI=1SC21H19ClN4O3Sc133021252420(1954102719)26(21)2312166717(2916)1328158918(22)14(2)1115h412H313H212H3b2312+
MFCD06195858
N((E)(5((4chloro3methylphenoxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5(furan2yl)4H124triazol4amine
ZINC000036611333
ZINC96576935

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Available files

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