Vitas-M small molecule compound
2,6-dimethoxy-4-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
Catalog ID
STK568882
SMILES COc1cc(/C=N/n2c(S)nnc2c2n[nH]c(c2)C)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 C17H18N6O4S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O4S/c1-9-5-12(20-19-9)16-21-22-17(28)23(16)18-8-11-6-13(25-3)15(27-10(2)24)14(7-11)26-4/h5-8H,1-4H3,(H,19,20)(H,22,28)/b18-8+InChIKey
JLZAWZLTSWRGMA-QGMBQPNBSA-NSynonyms
1037584-51-2(26DIMETHOXY4((E)(3(5METHYL1HPYRAZOL3YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENYL)ACETATE
(E)4(((3mercapto5(3methyl1Hpyrazol5yl)4H124triazol4yl)imino)methyl)26dimethoxyphenylacetate
1037584512
26dimethoxy4((E)((3(5methyl1Hpyrazol3yl)5sulfanyl4H124triazol4yl)imino)methyl)phenylacetate
4((1E)2(5(3METHYLPYRAZOL5YL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)26DIMETHOXYPHENYLACETATE
CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C(=C3)OC)OC(=O)C)OC
COc1cc(C=Nn2c(S)nnc2c2(nH)nc(c2)C)cc(c1OC(=O)C)OC
COc1cc(C=Nn2c(S)nnc2c2n(nH)c(c2)C)cc(c1OC(=O)C)OC
InChI=1SC17H18N6O4Sc19512(20199)16212217(28)23(16)18811613(253)15(2710(2)24)14(711)264h58H14H3(H1920)(H2228)b188+
MFCD05724829
ZINC000009242494
ZINC33345669
Check stock
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Check stock on Vitas-MAvailable files
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