Vitas-M small molecule compound
N-[(E)-{5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene]-3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173529
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1cccc(c1C)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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c1-13-16(21)5-3-6-17(13)27-12-15-9-8-14(28-15)11-22-25-19(18-7-4-10-26-18)23-24-20(25)29-2/h3-11H,12H2,1-2H3/b22-11+InChIKey
QPMOZBKJMZHMJW-SSDVNMTOSA-NSynonyms
866737-52-2(E)1(5((3chloro2methylphenoxy)methyl)furan2yl)N(3(furan2yl)5methylsulfanyl124triazol4yl)methanimine
866737522
CC1=C(C=CC=C1Cl)OCC2=CC=C(O2)C=NN3C(=NN=C3SC)C4=CC=CO4
CSc1nnc(n1N=Cc1ccc(o1)COc1cccc(c1C)Cl)c1ccco1
InChI=1SC20H17ClN4O3Sc11316(21)53617(13)2712159814(2815)11222519(1874102618)232420(25)292h311H12H212H3b2211+
MFCD07433951
N((E)(5((3chloro2methylphenoxy)methyl)furan2yl)methylidene)3(furan2yl)5(methylsulfanyl)4H124triazol4amine
ZINC000036611378
ZINC96576838
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