Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306940
SMILES COc1ccc(cc1COc1ccc(cc1)[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 C18H15F2N5O4S MW 435.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F2N5O4S/c1-28-15-7-2-11(9-21-24-17(16(19)20)22-23-18(24)30)8-12(15)10-29-14-5-3-13(4-6-14)25(26)27/h2-9,16H,10H2,1H3,(H,23,30)/b21-9+InChIKey
TVEOZCJGMBCPDV-ZVBGSRNCSA-NSynonyms
828286-53-93(difluoromethyl)4((E)(4methoxy3((4nitrophenoxy)methyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((4nitrophenoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
828286539
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C=Nn1c(S)nnc1C(F)F
InChI=1SC18H15F2N5O4Sc128157211(9212417(16(19)20)222318(24)30)812(15)1029145313(4614)25(26)27h2916H10H21H3(H2330)b219+
MFCD04056545
ZINC000002792264
ZINC2792263
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