Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307148
SMILES COc1ccc(cc1Cn1ncc(c1)[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/c1-27-12-3-2-9(5-19-23-14(13(16)17)20-21-15(23)28)4-10(12)7-22-8-11(6-18-22)24(25)26/h2-6,8,13H,7H2,1H3,(H,21,28)/b19-5+InChIKey
LPGSTGOWTUXNKD-PTXOJBNSSA-NSynonyms
1005679-82-21005679822
3(difluoromethyl)4((E)(4methoxy3((4nitropyrazol1yl)methyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)methylidene)amino)4H124triazole3thiol
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)CN3C=C(C=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C=Nn1c(S)nnc1C(F)F
InChI=1SC15H13F2N7O3Sc12712329(5192314(13(16)17)202115(23)28)410(12)722811(61822)24(25)26h26813H7H21H3(H2128)b195+
MFCD04047828
ZINC000002792760
ZINC2792759
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