Vitas-M small molecule compound
N-[(E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173552
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1cc(C)c(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 C22H21ClN4O3S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S/c1-4-31-22-26-25-21(19-6-5-9-28-19)27(22)24-12-16-7-8-17(30-16)13-29-18-10-14(2)20(23)15(3)11-18/h5-12H,4,13H2,1-3H3/b24-12+InChIKey
MIIRDQWWJKLFTH-WYMPLXKRSA-NSynonyms
866737-87-3(E)1(5((4chloro35dimethylphenoxy)methyl)furan2yl)N(3ethylsulfanyl5(furan2yl)124triazol4yl)methanimine
866737873
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC(=C(C(=C3)C)Cl)C)C4=CC=CO4
CCSc1nnc(n1N=Cc1ccc(o1)COc1cc(C)c(c(c1)C)Cl)c1ccco1
InChI=1SC22H21ClN4O3Sc143122262521(196592819)27(22)2412167817(3016)1329181014(2)20(23)15(3)1118h512H413H213H3b2412+
MFCD07433955
N((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5(furan2yl)4H124triazol4amine
ZINC000036611387
ZINC96577029
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