Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{5-[(3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306658
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1cc(C)cc(c1)C)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 C18H18F2N4O2S MW 392.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F2N4O2S/c1-11-6-12(2)8-15(7-11)25-10-14-5-4-13(26-14)9-21-24-17(16(19)20)22-23-18(24)27-3/h4-9,16H,10H2,1-3H3/b21-9+InChIKey
NXYDLUIKBDXXJR-ZVBGSRNCSA-NSynonyms
828282-08-2(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(5((35dimethylphenoxy)methyl)furan2yl)methanimine
3(difluoromethyl)N((E)(5((35dimethylphenoxy)methyl)furan2yl)methylidene)5(methylsulfanyl)4H124triazol4amine
828282082
CC1=CC(=CC(=C1)OCC2=CC=C(O2)C=NN3C(=NN=C3SC)C(F)F)C
CSc1nnc(n1N=Cc1ccc(o1)COc1cc(C)cc(c1)C)C(F)F
InChI=1SC18H18F2N4O2Sc111612(2)815(711)2510145413(2614)9212417(16(19)20)222318(24)273h4916H10H213H3b219+
MFCD05666918
ZINC000002791424
ZINC2791423
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