Vitas-M small molecule compound

4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL054323
SMILES COc1ccc(c(c1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)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 C20H18N6O2S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O2S/c1-27-15-8-9-18(28-2)14(10-15)12-21-26-19(24-25-20(26)29)17-11-16(22-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23)(H,25,29)/b21-12+
InChIKey
NDQPWOTUEGHCFR-CIAFOILYSA-N
Synonyms
1037569-57-5
(E)4((25dimethoxybenzylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
1037569575
4(((E)(25dimethoxyphenyl)methylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(25DIMETHOXYPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
COC1=CC(=C(C=C1)OC)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
COc1ccc(c(c1)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1)OC
COc1ccc(c(c1)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1)OC
InChI=1SC20H18N6O2Sc127158918(282)14(1015)12212619(242520(26)29)171116(222317)136435713h312H12H3(H2223)(H2529)b2112+
MFCD05733948
ZINC000006786204
ZINC01273146
ZINC1273146

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Available files

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