Vitas-M small molecule compound
5-(5-phenyl-1H-pyrazol-3-yl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL056456
SMILES COc1cc(OC)c(c(c1)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1
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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 C21H20N6O3S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O3S/c1-28-14-9-18(29-2)15(19(10-14)30-3)12-22-27-20(25-26-21(27)31)17-11-16(23-24-17)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,24)(H,26,31)/b22-12+InChIKey
RQFQZBRDTRAPAR-WSDLNYQXSA-NSynonyms
850187-67-6(E)5(3phenyl1Hpyrazol5yl)4((246trimethoxybenzylidene)amino)4H124triazole3thiol
3(3PHENYL1HPYRAZOL5YL)4((E)(246TRIMETHOXYPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(246TRIMETHOXYPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
5(5phenyl1Hpyrazol3yl)4(((E)(246trimethoxyphenyl)methylidene)amino)4H124triazole3thiol
850187676
COC1=CC(=C(C(=C1)OC)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4)OC
COc1cc(OC)c(c(c1)OC)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
COc1cc(OC)c(c(c1)OC)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
InChI=1SC21H20N6O3Sc12814918(292)15(19(1014)303)12222720(252621(27)31)171116(232417)137546813h412H13H3(H2324)(H2631)b2212+
MFCD05726102
ZINC000008565610
ZINC8565612
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.