Vitas-M small molecule compound
5-(furan-2-yl)-4-{[(E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL404822
SMILES Sc1nnc(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 C15H11N7O4S MW 385.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N7O4S/c23-22(24)10-6-16-20(8-10)9-12-4-3-11(26-12)7-17-21-14(18-19-15(21)27)13-2-1-5-25-13/h1-8H,9H2,(H,19,27)/b17-7+InChIKey
SRBWPJAWWBNJDD-REZTVBANSA-NSynonyms
1005643-80-01005643800
3(furan2yl)4((E)(5((4nitropyrazol1yl)methyl)furan2yl)methylideneamino)1H124triazole5thione
5(furan2yl)4(((E)(5((4nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)amino)4H124triazole3thiol
C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)CN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC15H11N7O4Sc2322(24)1061620(810)9124311(2612)7172114(181915(21)27)132152513h18H9H2(H1927)b177+
MFCD06195847
Sc1nnc(n1N=Cc1ccc(o1)Cn1ncc(c1)(N+)(=O)(O))c1ccco1
ZINC000017078648
ZINC101584346
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