Vitas-M small molecule compound
2,6-dimethoxy-4-[(E)-{[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STK591596
SMILES COc1cc(/C=N/n2c(=S)[nH]nc2c2cc(OC)c(c(c2)OC)OC)cc(c1OC(=O)C)OC
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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 C22H24N4O7S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O7S/c1-12(27)33-20-15(28-2)7-13(8-16(20)29-3)11-23-26-21(24-25-22(26)34)14-9-17(30-4)19(32-6)18(10-14)31-5/h7-11H,1-6H3,(H,25,34)/b23-11+InChIKey
JSRNTVRENDMVGN-FOKLQQMPSA-NSynonyms
497229-55-7(26dimethoxy4((E)(5sulfanylidene3(345trimethoxyphenyl)1H124triazol4yl)iminomethyl)phenyl)acetate
26dimethoxy4((E)((5thioxo3(345trimethoxyphenyl)15dihydro4H124triazol4yl)imino)methyl)phenylacetate
497229557
CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OC
COc1cc(C=Nn2c(=S)(nH)nc2c2cc(OC)c(c(c2)OC)OC)cc(c1OC(=O)C)OC
InChI=1SC22H24N4O7Sc112(27)332015(282)713(816(20)293)11232621(242522(26)34)14917(304)19(326)18(1014)315h711H16H3(H2534)b2311+
MFCD07204791
ZINC000009380171
ZINC102609039
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