Vitas-M small molecule compound
5-ethyl-4-{[(E)-{5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173224
SMILES CCc1nnc(n1/N=C/c1ccc(o1)COc1c(Cl)cc(cc1Cl)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 C16H13Cl3N4O2S MW 431.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl3N4O2S/c1-2-14-21-22-16(26)23(14)20-7-10-3-4-11(25-10)8-24-15-12(18)5-9(17)6-13(15)19/h3-7H,2,8H2,1H3,(H,22,26)/b20-7+InChIKey
DDYQWZFMVVLTKS-IFRROFPPSA-NSynonyms
866737-01-13ethyl4((E)(5((246trichlorophenoxy)methyl)furan2yl)methylideneamino)1H124triazole5thione
5ethyl4(((E)(5((246trichlorophenoxy)methyl)furan2yl)methylidene)amino)4H124triazole3thiol
866737011
CCC1=NNC(=S)N1N=CC2=CC=C(O2)COC3=C(C=C(C=C3Cl)Cl)Cl
CCc1nnc(n1N=Cc1ccc(o1)COc1c(Cl)cc(cc1Cl)Cl)S
InChI=1SC16H13Cl3N4O2Sc1214212216(26)23(14)207103411(2510)8241512(18)59(17)613(15)19h37H28H21H3(H2226)b207+
MFCD06195892
ZINC000036611350
ZINC96576864
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