Vitas-M small molecule compound
5-[chloro(difluoro)methyl]-4-({(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306723
SMILES COc1ccc(cc1COc1ccccc1)/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 C18H15ClF2N4O2S MW 424.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClF2N4O2S/c1-26-15-8-7-12(9-13(15)11-27-14-5-3-2-4-6-14)10-22-25-16(18(19,20)21)23-24-17(25)28/h2-10H,11H2,1H3,(H,24,28)/b22-10+InChIKey
MSWVGCMODUPWQO-LSHDLFTRSA-NSynonyms
828283-81-43(chloro(difluoro)methyl)4((E)(4methoxy3(phenoxymethyl)phenyl)methylideneamino)1H124triazole5thione
5(chloro(difluoro)methyl)4(((E)(4methoxy3(phenoxymethyl)phenyl)methylidene)amino)4H124triazole3thiol
828283814
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)(F)Cl)COC3=CC=CC=C3
COc1ccc(cc1COc1ccccc1)C=Nn1c(S)nnc1C(Cl)(F)F
InChI=1SC18H15ClF2N4O2Sc126158712(913(15)1127145324614)10222516(18(1920)21)232417(25)28h210H11H21H3(H2428)b2210+
MFCD06195365
ZINC000002791634
ZINC2791633
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