Vitas-M small molecule compound

2-methoxy-4-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate

Catalog ID
STK566870
SMILES COc1cc(/C=N/n2c(S)nnc2c2n[nH]c(c2)c2ccccc2)ccc1OC(=O)C

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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 C21H18N6O3S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3S/c1-13(28)30-18-9-8-14(10-19(18)29-2)12-22-27-20(25-26-21(27)31)17-11-16(23-24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,24)(H,26,31)/b22-12+
InChIKey
LVFGBLZZHZVEKO-WSDLNYQXSA-N
Synonyms
1037569-54-2
(2METHOXY4((E)(3(3PHENYL1HPYRAZOL5YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
(E)4(((3mercapto5(3phenyl1Hpyrazol5yl)4H124triazol4yl)imino)methyl)2methoxyphenylacetate
1037569542
2methoxy4((E)((3(5phenyl1Hpyrazol3yl)5sulfanyl4H124triazol4yl)imino)methyl)phenylacetate
4((1E)2(5(3PHENYLPYRAZOL5YL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)2METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4)OC
COc1cc(C=Nn2c(S)nnc2c2(nH)nc(c2)c2ccccc2)ccc1OC(=O)C
COc1cc(C=Nn2c(S)nnc2c2n(nH)c(c2)c2ccccc2)ccc1OC(=O)C
InChI=1SC21H18N6O3Sc113(28)30189814(1019(18)292)12222720(252621(27)31)171116(232417)156435715h312H12H3(H2324)(H2631)b2212+
MFCD05733213
ZINC000009292811
ZINC01885161
ZINC1885161

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Available files

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