Vitas-M small molecule compound
3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK306245
SMILES CSc1nnc(n1/N=C/c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-])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 C13H11F2N7O3S MW 383.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F2N7O3S/c1-26-13-19-18-12(11(14)15)21(13)17-5-9-2-3-10(25-9)7-20-6-8(4-16-20)22(23)24/h2-6,11H,7H2,1H3/b17-5+InChIKey
SMOJMOUDZYJHOR-YAXRCOADSA-NSynonyms
1005614-49-2(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(5((4nitropyrazol1yl)methyl)furan2yl)methanimine
1005614492
3(difluoromethyl)5(methylsulfanyl)N((E)(5((4nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)4H124triazol4amine
CSC1=NN=C(N1N=CC2=CC=C(O2)CN3C=C(C=N3)(N+)(=O)(O))C(F)F
CSc1nnc(n1N=Cc1ccc(o1)Cn1ncc(c1)(N+)(=O)(O))C(F)F
InChI=1SC13H11F2N7O3Sc12613191812(11(14)15)21(13)17592310(259)72068(41620)22(23)24h2611H7H21H3b175+
MFCD04053590
ZINC000002789665
ZINC35678937
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