Vitas-M small molecule compound
N-[(E)-{5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene]-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK314753
SMILES CCCCSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1)Br)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 C19H19BrF2N4O2S MW 485.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrF2N4O2S/c1-2-3-10-29-19-25-24-18(17(21)22)26(19)23-11-15-8-9-16(28-15)12-27-14-6-4-13(20)5-7-14/h4-9,11,17H,2-3,10,12H2,1H3/b23-11+InChIKey
IEMCVBVEJWTGPW-FOKLQQMPSA-NSynonyms
866814-86-0(E)1(5((4bromophenoxy)methyl)furan2yl)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)methanimine
866814860
CCCCSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC=C(C=C3)Br)C(F)F
CCCCSc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1)Br)C(F)F
InChI=1SC19H19BrF2N4O2Sc123102919252418(17(21)22)26(19)2311158916(2815)1227146413(20)5714h491117H231012H21H3b2311+
MFCD06197202
N((E)(5((4bromophenoxy)methyl)furan2yl)methylidene)3(butylsulfanyl)5(difluoromethyl)4H124triazol4amine
ZINC000013961086
ZINC59847573
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