Vitas-M small molecule compound

N-[(E)-{5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene]-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL173533
SMILES CCSc1nnc(n1/N=C/c1ccc(o1)COc1cccc(c1Cl)Cl)C(F)(F)F

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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 C17H13Cl2F3N4O2S MW 465.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2F3N4O2S/c1-2-29-16-25-24-15(17(20,21)22)26(16)23-8-10-6-7-11(28-10)9-27-13-5-3-4-12(18)14(13)19/h3-8H,2,9H2,1H3/b23-8+
InChIKey
PJTASBQQCQDFHM-LIMNOBDPSA-N
Synonyms
866738-73-0
(E)1(5((23dichlorophenoxy)methyl)furan2yl)N(3ethylsulfanyl5(trifluoromethyl)124triazol4yl)methanimine
866738730
CCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=C(C(=CC=C3)Cl)Cl)C(F)(F)F
CCSc1nnc(n1N=Cc1ccc(o1)COc1cccc(c1Cl)Cl)C(F)(F)F
InChI=1SC17H13Cl2F3N4O2Sc122916252415(17(2021)22)26(16)238106711(2810)9271353412(18)14(13)19h38H29H21H3b238+
MFCD08553331
N((E)(5((23dichlorophenoxy)methyl)furan2yl)methylidene)3(ethylsulfanyl)5(trifluoromethyl)4H124triazol4amine
ZINC000036611426
ZINC96577069

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Available files

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