Vitas-M small molecule compound
2-methoxy-4-[(E)-{[3-(phenoxymethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STK595762
SMILES COc1cc(ccc1OC(=O)C)/C=N/n1c(COc2ccccc2)n[nH]c1=S
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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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-13(24)27-16-9-8-14(10-17(16)25-2)11-20-23-18(21-22-19(23)28)12-26-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,28)/b20-11+InChIKey
GYKSCWHLLSOHDX-RGVLZGJSSA-NSynonyms
488859-58-1(2METHOXY4((E)(3(PHENOXYMETHYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
2methoxy4((E)((3(phenoxymethyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenylacetate
488859581
CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3)OC
COc1cc(ccc1OC(=O)C)C=Nn1c(COc2ccccc2)n(nH)c1=S
InChI=1SC19H18N4O4Sc113(24)27169814(1017(16)252)11202318(212219(23)28)1226156435715h311H12H212H3(H2228)b2011+
MFCD07208259
ZINC000005830025
ZINC1475916
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