Vitas-M small molecule compound
4-{[(E)-(4-propoxyphenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL052343
SMILES CCCOc1ccc(cc1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2
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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 C18H20N6OS MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6OS/c1-2-10-25-13-8-6-12(7-9-13)11-19-24-17(22-23-18(24)26)16-14-4-3-5-15(14)20-21-16/h6-9,11H,2-5,10H2,1H3,(H,20,21)(H,23,26)/b19-11+InChIKey
SEQKVBUADSLSKM-YBFXNURJSA-NSynonyms
(E)4((4propoxybenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(4propoxyphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4PROPOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4propoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
CCCOc1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
CCCOc1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC18H20N6OSc121025138612(7913)11192417(222318(24)26)161443515(14)202116h6911H2510H21H3(H2021)(H2326)b1911+
MFCD05734872
ZINC000005924022
ZINC2390270
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