Vitas-M small molecule compound
2-methoxy-4-[(E)-{[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STK583777
SMILES COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccncc1
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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 C17H15N5O3S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O3S/c1-11(23)25-14-4-3-12(9-15(14)24-2)10-19-22-16(20-21-17(22)26)13-5-7-18-8-6-13/h3-10H,1-2H3,(H,21,26)/b19-10+InChIKey
NZRRVFNBGGUVTK-VXLYETTFSA-NSynonyms
489423-84-9(2METHOXY4((E)(3PYRIDIN4YL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
2methoxy4((E)((3(pyridin4yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)phenylacetate
4((1E)2(5(4PYRIDYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)2METHOXYPHENYLACETATE
489423849
CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)OC
COc1cc(ccc1OC(=O)C)C=Nn1c(=S)(nH)nc1c1ccncc1
InChI=1SC17H15N5O3Sc111(23)25144312(915(14)242)10192216(202117(22)26)1357188613h310H12H3(H2126)b1910+
MFCD07212595
ZINC000005458762
ZINC1095653
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