Vitas-M small molecule compound
3-(furan-2-yl)-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
STL393865
SMILES CSc1nnc(n1/N=C/c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-])c1ccco1
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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 C16H13N7O4S MW 399.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N7O4S/c1-28-16-20-19-15(14-3-2-6-26-14)22(16)18-8-12-4-5-13(27-12)10-21-9-11(7-17-21)23(24)25/h2-9H,10H2,1H3/b18-8+InChIKey
RYLPMVZMCWBTFW-QGMBQPNBSA-NSynonyms
1005673-47-1(E)N(3(furan2yl)5methylsulfanyl124triazol4yl)1(5((4nitropyrazol1yl)methyl)furan2yl)methanimine
1005673471
3(FURAN2YL)5(METHYLSULFANYL)N((E)(5((4NITRO1HPYRAZOL1YL)METHYL)FURAN2YL)METHYLIDENE)4H124TRIAZOL4AMINE
4((1E)2(5((4NITROPYRAZOLYL)METHYL)(2FURYL))1AZAVINYL)3(2FURYL)5METHYLTHIO124TRIAZOLE
CSC1=NN=C(N1N=CC2=CC=C(O2)CN3C=C(C=N3)(N+)(=O)(O))C4=CC=CO4
CSc1nnc(n1N=Cc1ccc(o1)Cn1ncc(c1)(N+)(=O)(O))c1ccco1
InChI=1SC16H13N7O4Sc12816201915(143262614)22(16)188124513(2712)1021911(71721)23(24)25h29H10H21H3b188+
MFCD07433941
ZINC000008782656
ZINC98064630
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