Vitas-M small molecule compound
5-ethyl-4-{[(E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL404747
SMILES CCc1nnc(n1/N=C/c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-])S
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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 C13H13N7O3S MW 347.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N7O3S/c1-2-12-16-17-13(24)19(12)15-6-10-3-4-11(23-10)8-18-7-9(5-14-18)20(21)22/h3-7H,2,8H2,1H3,(H,17,24)/b15-6+InChIKey
CZFVJTXLRGRCNM-GIDUJCDVSA-NSynonyms
1005673-40-41005673404
3ethyl4((E)(5((4nitropyrazol1yl)methyl)furan2yl)methylideneamino)1H124triazole5thione
5ethyl4(((E)(5((4nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)amino)4H124triazole3thiol
CCC1=NNC(=S)N1N=CC2=CC=C(O2)CN3C=C(C=N3)(N+)(=O)(O)
CCc1nnc(n1N=Cc1ccc(o1)Cn1ncc(c1)(N+)(=O)(O))S
InChI=1SC13H13N7O3Sc1212161713(24)19(12)156103411(2310)81879(51418)20(21)22h37H28H21H3(H1724)b156+
MFCD08553313
ZINC000017072236
ZINC101584380
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