Vitas-M small molecule compound
4-{[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL177378
SMILES COc1cc(ccc1OCc1ccc(cc1)[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 C17H15N5O4S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O4S/c1-25-16-8-13(9-19-21-11-18-20-17(21)27)4-7-15(16)26-10-12-2-5-14(6-3-12)22(23)24/h2-9,11H,10H2,1H3,(H,20,27)/b19-9+InChIKey
IHQOGIRBXNOYRG-DJKKODMXSA-NSynonyms
828281-64-74(((E)(3methoxy4((4nitrobenzyl)oxy)phenyl)methylidene)amino)4H124triazole3thiol
4((E)(3methoxy4((4nitrophenyl)methoxy)phenyl)methylideneamino)1H124triazole5thione
828281647
COC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=Nn1cnnc1S
InChI=1SC17H15N5O4Sc12516813(9192111182017(21)27)4715(16)2610122514(6312)22(23)24h2911H10H21H3(H2027)b199+
MFCD04053614
ZINC000008471632
ZINC2791320
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