Vitas-M small molecule compound

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

Catalog ID
STL050981
SMILES CCCOc1ccc(cc1)/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 C21H20N6OS MW 404.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6OS/c1-2-12-28-17-10-8-15(9-11-17)14-22-27-20(25-26-21(27)29)19-13-18(23-24-19)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,23,24)(H,26,29)/b22-14+
InChIKey
WHAXUFUBAAVZCY-HYARGMPZSA-N
Synonyms
1037584-32-9
(E)5(3phenyl1Hpyrazol5yl)4((4propoxybenzylidene)amino)4H124triazole3thiol
1037584329
3(3PHENYL1HPYRAZOL5YL)4((E)(4PROPOXYPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(4PROPOXYPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
5(5phenyl1Hpyrazol3yl)4(((E)(4propoxyphenyl)methylidene)amino)4H124triazole3thiol
CCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
CCCOc1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc(c1)c1ccccc1
CCCOc1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c(c1)c1ccccc1
InChI=1SC21H20N6OSc1212281710815(91117)14222720(252621(27)29)191318(232419)166435716h3111314H212H21H3(H2324)(H2629)b2214+
MFCD05729554
ZINC000009360328
ZINC1870487

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Available files

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