Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177290
SMILES COc1ccc(cc1OC)/C=N/n1c(SC)nnc1C(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 C13H14F2N4O2S MW 328.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F2N4O2S/c1-20-9-5-4-8(6-10(9)21-2)7-16-19-12(11(14)15)17-18-13(19)22-3/h4-7,11H,1-3H3/b16-7+InChIKey
LOOSBALCSMJZRM-FRKPEAEDSA-NSynonyms
828279-20-5(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(34dimethoxyphenyl)methanimine
3(difluoromethyl)N((E)(34dimethoxyphenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828279205
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)OC
COc1ccc(cc1OC)C=Nn1c(SC)nnc1C(F)F
InChI=1SC13H14F2N4O2Sc1209548(610(9)212)7161912(11(14)15)171813(19)223h4711H13H3b167+
MFCD04052661
ZINC000002790207
ZINC2790206
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