Vitas-M small molecule compound
4-{[(E)-{3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306744
SMILES COc1ccc(cc1COc1ccc(cc1Cl)[N+](=O)[O-])/C=N/n1cnnc1S
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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 C17H14ClN5O4S MW 419.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN5O4S/c1-26-15-4-2-11(8-20-22-10-19-21-17(22)28)6-12(15)9-27-16-5-3-13(23(24)25)7-14(16)18/h2-8,10H,9H2,1H3,(H,21,28)/b20-8+InChIKey
YFDXWYRKSABDSH-DNTJNYDQSA-NSynonyms
828284-07-74(((E)(3((2chloro4nitrophenoxy)methyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
4((E)(3((2chloro4nitrophenoxy)methyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
828284077
COC1=C(C=C(C=C1)C=NN2C=NNC2=S)COC3=C(C=C(C=C3)(N+)(=O)(O))Cl
COc1ccc(cc1COc1ccc(cc1Cl)(N+)(=O)(O))C=Nn1cnnc1S
InChI=1SC17H14ClN5O4Sc126154211(8202210192117(22)28)612(15)927165313(23(24)25)714(16)18h2810H9H21H3(H2128)b208+
MFCD04053693
ZINC000002791703
ZINC33523072
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