Vitas-M small molecule compound
4-{[(E)-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307389
SMILES COc1ccc(cc1Cn1ccc(n1)[N+](=O)[O-])/C=N/n1c(C)nnc1S
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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 C15H15N7O3S MW 373.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N7O3S/c1-10-17-18-15(26)21(10)16-8-11-3-4-13(25-2)12(7-11)9-20-6-5-14(19-20)22(23)24/h3-8H,9H2,1-2H3,(H,18,26)/b16-8+InChIKey
PAFCOZRUOBJZFQ-LZYBPNLTSA-NSynonyms
1005680-30-71005680307
4(((E)(4methoxy3((3nitro1Hpyrazol1yl)methyl)phenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(4methoxy3((3nitropyrazol1yl)methyl)phenyl)methylideneamino)3methyl1H124triazole5thione
CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC)CN3C=CC(=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=Nn1c(C)nnc1S
InChI=1SC15H15N7O3Sc110171815(26)21(10)168113413(252)12(711)9206514(1920)22(23)24h38H9H212H3(H1826)b168+
MFCD04056693
ZINC000002793547
ZINC33523483
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