Vitas-M small molecule compound
N-[(E)-{5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173553
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1c(C)cccc1Cl)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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-3-30-21-25-24-20(18-8-5-11-27-18)26(21)23-12-15-9-10-16(29-15)13-28-19-14(2)6-4-7-17(19)22/h4-12H,3,13H2,1-2H3/b23-12+InChIKey
NODUABXAUIRUAN-FSJBWODESA-NSynonyms
866738-11-6(E)1(5((2chloro6methylphenoxy)methyl)furan2yl)N(3ethylsulfanyl5(furan2yl)124triazol4yl)methanimine
866738116
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=C(C=CC=C3Cl)C)C4=CC=CO4
CCSc1nnc(n1N=Cc1ccc(o1)COc1c(C)cccc1Cl)c1ccco1
InChI=1SC21H19ClN4O3Sc133021252420(1885112718)26(21)23121591016(2915)13281914(2)64717(19)22h412H313H212H3b2312+
MFCD07433959
N((E)(5((2chloro6methylphenoxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5(furan2yl)4H124triazol4amine
ZINC000036611402
ZINC96576934
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