Vitas-M small molecule compound
N-{(E)-[4-(difluoromethoxy)phenyl]methylidene}-3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173333
SMILES CCSc1nnc(n1/N=C/c1ccc(cc1)OC(F)F)C(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 C13H12F4N4OS MW 348.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F4N4OS/c1-2-23-13-20-19-11(10(14)15)21(13)18-7-8-3-5-9(6-4-8)22-12(16)17/h3-7,10,12H,2H2,1H3/b18-7+InChIKey
UFNAWVDWMXLFMZ-CNHKJKLMSA-NSynonyms
(E)1(4(difluoromethoxy)phenyl)N(3(difluoromethyl)5ethylsulfanyl124triazol4yl)methanimine
CCSC1=NN=C(N1N=CC2=CC=C(C=C2)OC(F)F)C(F)F
CCSc1nnc(n1N=Cc1ccc(cc1)OC(F)F)C(F)F
InChI=1SC13H12F4N4OSc122313201911(10(14)15)21(13)1878359(648)2212(16)17h371012H2H21H3b187+
MFCD06195910
N((E)(4(difluoromethoxy)phenyl)methylidene)3(difluoromethyl)5(ethylsulfanyl)4H124triazol4amine
ZINC000036611363
ZINC96569309
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