Vitas-M small molecule compound
4-{[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307207
SMILES COc1ccc(cc1COc1cc(F)ccc1[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 C18H16FN5O4S MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN5O4S/c1-11-21-22-18(29)23(11)20-9-12-3-6-16(27-2)13(7-12)10-28-17-8-14(19)4-5-15(17)24(25)26/h3-9H,10H2,1-2H3,(H,22,29)/b20-9+InChIKey
DQMMEIUWENMGFV-AWQFTUOYSA-NSynonyms
828290-43-34(((E)(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)methylideneamino)3methyl1H124triazole5thione
828290433
CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC)COC3=C(C=CC(=C3)F)(N+)(=O)(O)
COc1ccc(cc1COc1cc(F)ccc1(N+)(=O)(O))C=Nn1c(C)nnc1S
InChI=1SC18H16FN5O4Sc111212218(29)23(11)209123616(272)13(712)102817814(19)4515(17)24(25)26h39H10H212H3(H2229)b209+
MFCD05666940
ZINC000002793192
ZINC33580354
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