Vitas-M small molecule compound
N-[(E)-{5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306551
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])Cl)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 C16H12ClF2N5O4S MW 443.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClF2N5O4S/c1-29-16-22-21-15(14(18)19)23(16)20-7-10-3-4-11(28-10)8-27-13-5-2-9(17)6-12(13)24(25)26/h2-7,14H,8H2,1H3/b20-7+InChIKey
YFINETCJHQLQCL-IFRROFPPSA-NSynonyms
828280-80-4(E)1(5((4chloro2nitrophenoxy)methyl)furan2yl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828280804
CSC1=NN=C(N1N=CC2=CC=C(O2)COC3=C(C=C(C=C3)Cl)(N+)(=O)(O))C(F)F
CSc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1(N+)(=O)(O))Cl)C(F)F
InChI=1SC16H12ClF2N5O4Sc12916222115(14(18)19)23(16)207103411(2810)82713529(17)612(13)24(25)26h2714H8H21H3b207+
MFCD04049723
N((E)(5((4chloro2nitrophenoxy)methyl)furan2yl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791075
ZINC4510776
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