Vitas-M small molecule compound
4-{[(E)-{5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL178761
SMILES CCc1nnc(n1/N=C/c1ccc(o1)COc1ccc(c(c1)Cl)F)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 C16H14ClFN4O2S MW 380.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClFN4O2S/c1-2-15-20-21-16(25)22(15)19-8-11-3-4-12(24-11)9-23-10-5-6-14(18)13(17)7-10/h3-8H,2,9H2,1H3,(H,21,25)/b19-8+InChIKey
IHYVNFZPZZFJFA-UFWORHAWSA-NSynonyms
866736-55-24(((E)(5((3chloro4fluorophenoxy)methyl)furan2yl)methylidene)amino)5ethyl4H124triazole3thiol
4((E)(5((3chloro4fluorophenoxy)methyl)furan2yl)methylideneamino)3ethyl1H124triazole5thione
866736552
CCC1=NNC(=S)N1N=CC2=CC=C(O2)COC3=CC(=C(C=C3)F)Cl
CCc1nnc(n1N=Cc1ccc(o1)COc1ccc(c(c1)Cl)F)S
InChI=1SC16H14ClFN4O2Sc1215202116(25)22(15)198113412(2411)923105614(18)13(17)710h38H29H21H3(H2125)b198+
MFCD08553318
ZINC000036611345
ZINC96569514
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