Vitas-M small molecule compound
N-{(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-3-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL173459
SMILES COc1cc(ccc1OC(F)F)/C=N/n1cnnc1SC
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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 C12H12F2N4O2S MW 314.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12F2N4O2S/c1-19-10-5-8(3-4-9(10)20-11(13)14)6-16-18-7-15-17-12(18)21-2/h3-7,11H,1-2H3/b16-6+InChIKey
DUJXUTBFEJCUTA-OMCISZLKSA-NSynonyms
866737-95-3(E)1(4(difluoromethoxy)3methoxyphenyl)N(3methylsulfanyl124triazol4yl)methanimine
866737953
COC1=C(C=CC(=C1)C=NN2C=NN=C2SC)OC(F)F
COc1cc(ccc1OC(F)F)C=Nn1cnnc1SC
InChI=1SC12H12F2N4O2Sc1191058(349(10)2011(13)14)616187151712(18)212h3711H12H3b166+
MFCD06195950
N((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)3(methylsulfanyl)4H124triazol4amine
ZINC000036611393
ZINC96569175
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