Vitas-M small molecule compound
4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL040534
SMILES COc1ccc(cc1OC)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2
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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/c1-24-13-7-6-10(8-14(13)25-2)9-18-23-16(21-22-17(23)26)15-11-4-3-5-12(11)19-20-15/h6-9H,3-5H2,1-2H3,(H,19,20)(H,22,26)/b18-9+InChIKey
LUKXAZWIBNZGCK-GIJQJNRQSA-NSynonyms
(E)4((34dimethoxybenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(34dimethoxyphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(34DIMETHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(34dimethoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)OC
COc1ccc(cc1OC)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1ccc(cc1OC)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC17H18N6O2Sc124137610(814(13)252)9182316(212217(23)26)151143512(11)192015h69H35H212H3(H1920)(H2226)b189+
MFCD05727975
ZINC000005625636
ZINC15987598
Check stock
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Check stock on Vitas-MAvailable files
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