Vitas-M small molecule compound
5-[chloro(difluoro)methyl]-4-{[(E)-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306918
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])/C=N/n1c(S)nnc1C(Cl)(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 C18H14ClF2N5O4S MW 469.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClF2N5O4S/c1-29-15-7-2-11(9-22-25-16(18(19,20)21)23-24-17(25)31)8-12(15)10-30-14-5-3-13(4-6-14)26(27)28/h2-9H,10H2,1H3,(H,24,31)/b22-9+InChIKey
WDTFAETXUAYNNL-LSFURLLWSA-NSynonyms
828286-01-73(chloro(difluoro)methyl)4((E)(4methoxy3((4nitrophenoxy)methyl)phenyl)methylideneamino)1H124triazole5thione
5(chloro(difluoro)methyl)4(((E)(4methoxy3((4nitrophenoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
828286017
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)(F)Cl)COC3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C=Nn1c(S)nnc1C(Cl)(F)F
InChI=1SC18H14ClF2N5O4Sc129157211(9222516(18(1920)21)232417(25)31)812(15)1030145313(4614)26(27)28h29H10H21H3(H2431)b229+
MFCD06195373
ZINC000002792191
ZINC2792190
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