Vitas-M small molecule compound
2,6-dimethoxy-4-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STL042806
SMILES COc1cc(/C=N/n2c(S)nnc2c2n[nH]c(c2)c2ccccc2)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 C22H20N6O4S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O4S/c1-13(29)32-20-18(30-2)9-14(10-19(20)31-3)12-23-28-21(26-27-22(28)33)17-11-16(24-25-17)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,25)(H,27,33)/b23-12+InChIKey
ANBUVELMXJGMPX-FSJBWODESA-NSynonyms
1037579-22-8(26DIMETHOXY4((E)(3(3PHENYL1HPYRAZOL5YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
(E)4(((3mercapto5(3phenyl1Hpyrazol5yl)4H124triazol4yl)imino)methyl)26dimethoxyphenylacetate
1037579228
26dimethoxy4((E)((3(5phenyl1Hpyrazol3yl)5sulfanyl4H124triazol4yl)imino)methyl)phenylacetate
4((1E)2(5(3PHENYLPYRAZOL5YL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)26DIMETHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4)OC
COc1cc(C=Nn2c(S)nnc2c2(nH)nc(c2)c2ccccc2)cc(c1OC(=O)C)OC
COc1cc(C=Nn2c(S)nnc2c2n(nH)c(c2)c2ccccc2)cc(c1OC(=O)C)OC
InChI=1SC22H20N6O4Sc113(29)322018(302)914(1019(20)313)12232821(262722(28)33)171116(242517)157546815h412H13H3(H2425)(H2733)b2312+
MFCD05727942
ZINC000009357416
ZINC01802495
ZINC1802495
Check stock
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Check stock on Vitas-MAvailable files
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