Vitas-M small molecule compound

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

Catalog ID
STL048472
SMILES CCCCCOc1ccc(cc1)/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 C18H22N6OS MW 370.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6OS/c1-3-4-5-10-25-15-8-6-14(7-9-15)12-19-24-17(22-23-18(24)26)16-11-13(2)20-21-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21)(H,23,26)/b19-12+
InChIKey
UHYBFZPHVSQOST-XDHOZWIPSA-N
Synonyms

(E)5(3methyl1Hpyrazol5yl)4((4(pentyloxy)benzylidene)amino)4H124triazole3thiol
3(5methyl1Hpyrazol3yl)4((E)(4pentoxyphenyl)methylideneamino)1H124triazole5thione
4((1E)2(4PENTYLOXYPHENYL)1AZAVINYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
5(5methyl1Hpyrazol3yl)4(((E)(4(pentyloxy)phenyl)methylidene)amino)4H124triazole3thiol
714942515
CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC(=C3)C
CCCCCOc1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc(c1)C
CCCCCOc1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c(c1)C
InChI=1SC18H22N6OSc13451025158614(7915)12192417(222318(24)26)161113(2)202116h691112H3510H212H3(H2021)(H2326)b1912+
MFCD05736776
ZINC000009328315
ZINC33345881

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Available files

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