Vitas-M small molecule compound
4-{[(E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173271
SMILES CCc1nnc(n1/N=C/c1ccc(o1)COc1cc(C)c(c(c1)C)Cl)S
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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/c1-4-16-21-22-18(26)23(16)20-9-13-5-6-14(25-13)10-24-15-7-11(2)17(19)12(3)8-15/h5-9H,4,10H2,1-3H3,(H,22,26)/b20-9+InChIKey
SSNZITTWTZIRNZ-AWQFTUOYSA-NSynonyms
866763-20-44(((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylidene)amino)5ethyl4H124triazole3thiol
4((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylideneamino)3ethyl1H124triazole5thione
866763204
CCC1=NNC(=S)N1N=CC2=CC=C(O2)COC3=CC(=C(C(=C3)C)Cl)C
CCc1nnc(n1N=Cc1ccc(o1)COc1cc(C)c(c(c1)C)Cl)S
InChI=1SC18H19ClN4O2Sc1416212218(26)23(16)209135614(2513)102415711(2)17(19)12(3)815h59H410H213H3(H2226)b209+
MFCD06196129
ZINC000020617924
ZINC96577606
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