Vitas-M small molecule compound
4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL048032
SMILES COc1ccc(c(c1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2)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 C17H18N6O2S MW 370.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O2S/c1-24-11-6-7-14(25-2)10(8-11)9-18-23-16(21-22-17(23)26)15-12-4-3-5-13(12)19-20-15/h6-9H,3-5H2,1-2H3,(H,19,20)(H,22,26)/b18-9+InChIKey
ZQFGRECUENBWLO-GIJQJNRQSA-NSynonyms
(E)4((25dimethoxybenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(25dimethoxyphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(25DIMETHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(25dimethoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=CC(=C(C=C1)OC)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
COc1ccc(c(c1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2)OC
COc1ccc(c(c1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2)OC
InChI=1SC17H18N6O2Sc124116714(252)10(811)9182316(212217(23)26)151243513(12)192015h69H35H212H3(H1920)(H2226)b189+
MFCD05733187
ZINC000005625603
ZINC15987712
Check stock
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Check stock on Vitas-MAvailable files
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