Vitas-M small molecule compound
4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK570011
SMILES COc1cc(ccc1OCc1ccccc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)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 C21H20N6O2S MW 420.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S/c1-14-10-17(24-23-14)20-25-26-21(30)27(20)22-12-16-8-9-18(19(11-16)28-2)29-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,24)(H,26,30)/b22-12+InChIKey
FTOBHOLLGSWYSJ-WSDLNYQXSA-NSynonyms
716331-13-4(E)4((4(benzyloxy)3methoxybenzylidene)amino)5(3methyl1Hpyrazol5yl)4H124triazole3thiol
4(((E)(4(benzyloxy)3methoxyphenyl)methylidene)amino)5(5methyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(3METHOXY4(PHENYLMETHOXY)PHENYL)1AZAVINYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENEAMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
716331134
CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
COc1cc(ccc1OCc1ccccc1)C=Nn1c(S)nnc1c1(nH)nc(c1)C
COc1cc(ccc1OCc1ccccc1)C=Nn1c(S)nnc1c1n(nH)c(c1)C
InChI=1SC21H20N6O2Sc1141017(242314)20252621(30)27(20)2212168918(19(1116)282)2913156435715h312H13H212H3(H2324)(H2630)b2212+
MFCD05737922
ZINC000009291260
ZINC4464895
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.