Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307119
SMILES COc1ccc(cc1Cn1ccc(n1)[N+](=O)[O-])/C=N/n1c(S)nnc1C(F)F
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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 C15H13F2N7O3S MW 409.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13F2N7O3S/c1-27-11-3-2-9(7-18-23-14(13(16)17)19-20-15(23)28)6-10(11)8-22-5-4-12(21-22)24(25)26/h2-7,13H,8H2,1H3,(H,20,28)/b18-7+InChIKey
ANUMLOAPGOZMNW-CNHKJKLMSA-NSynonyms
1005564-96-41005564964
3(difluoromethyl)4((E)(4methoxy3((3nitropyrazol1yl)methyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((3nitro1Hpyrazol1yl)methyl)phenyl)methylidene)amino)4H124triazole3thiol
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)CN3C=CC(=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=Nn1c(S)nnc1C(F)F
InChI=1SC15H13F2N7O3Sc12711329(7182314(13(16)17)192015(23)28)610(11)8225412(2122)24(25)26h2713H8H21H3(H2028)b187+
MFCD04047824
ZINC000002792695
ZINC2792694
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