Vitas-M small molecule compound
4-[(E)-{[3-(furan-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenyl acetate
Catalog ID
STK850028
SMILES COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccco1
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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 C16H14N4O4S MW 358.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O4S/c1-10(21)24-12-6-5-11(8-14(12)22-2)9-17-20-15(18-19-16(20)25)13-4-3-7-23-13/h3-9H,1-2H3,(H,19,25)/b17-9+InChIKey
RSDKIVIVLJBVTM-RQZCQDPDSA-NSynonyms
488130-54-7(4((E)(3(FURAN2YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)2METHOXYPHENYL)ACETATE
4((E)((3(furan2yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)2methoxyphenylacetate
488130547
CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CO3)OC
COc1cc(ccc1OC(=O)C)C=Nn1c(=S)(nH)nc1c1ccco1
InChI=1SC16H14N4O4Sc110(21)24126511(814(12)222)9172015(181916(20)25)134372313h39H12H3(H1925)b179+
MFCD07210915
ZINC000005562838
ZINC1138776
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