Vitas-M small molecule compound
N-[(E)-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL173283
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(c(c1)C)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 C18H19ClN4O2S MW 390.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN4O2S/c1-4-26-18-22-21-13(3)23(18)20-10-15-5-6-16(25-15)11-24-14-7-8-17(19)12(2)9-14/h5-10H,4,11H2,1-3H3/b20-10+InChIKey
WXJQEWCCUIZAQJ-KEBDBYFISA-NSynonyms
(E)1(5((4chloro3methylphenoxy)methyl)furan2yl)N(3ethylsulfanyl5methyl124triazol4yl)methanimine
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC(=C(C=C3)Cl)C)C
CCSc1nnc(n1N=Cc1ccc(o1)COc1ccc(c(c1)C)Cl)C
InChI=1SC18H19ClN4O2Sc142618222113(3)23(18)2010155616(2515)1124147817(19)12(2)914h510H411H213H3b2010+
MFCD06196118
N((E)(5((4chloro3methylphenoxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5methyl4H124triazol4amine
ZINC000036611505
ZINC96569582
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