Vitas-M small molecule compound
3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-(3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STL177259
SMILES CSc1nnc(n1/N=C/c1cccc(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 C11H9F2N5O2S MW 313.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9F2N5O2S/c1-21-11-16-15-10(9(12)13)17(11)14-6-7-3-2-4-8(5-7)18(19)20/h2-6,9H,1H3/b14-6+InChIKey
XPAPCOWNYOTXTP-MKMNVTDBSA-NSynonyms
828279-45-4(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(3nitrophenyl)methanimine
3(difluoromethyl)5(methylsulfanyl)N((E)(3nitrophenyl)methylidene)4H124triazol4amine
828279454
CSC1=NN=C(N1N=CC2=CC(=CC=C2)(N+)(=O)(O))C(F)F
CSc1nnc(n1N=Cc1cccc(c1)(N+)(=O)(O))C(F)F
InChI=1SC11H9F2N5O2Sc12111161510(9(12)13)17(11)14673248(57)18(19)20h269H1H3b146+
MFCD04052563
ZINC000002790288
ZINC35679100
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