Vitas-M small molecule compound

4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL047889
SMILES COc1ccccc1/C=C/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 C18H18N6OS MW 366.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6OS/c1-25-15-10-3-2-6-12(15)7-5-11-19-24-17(22-23-18(24)26)16-13-8-4-9-14(13)20-21-16/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,20,21)(H,23,26)/b7-5+,19-11+
InChIKey
MPZOEFUTPCPWLC-SPJXWURQSA-N
Synonyms

4(((1E2E)3(2methoxyphenyl)prop2en1ylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)((E)3(2methoxyphenyl)allylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((E)((E)3(2methoxyphenyl)prop2enylidene)amino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=CC=CC=C1C=CC=NN2C(=NNC2=S)C3=NNC4=C3CCC4
COc1ccccc1C=CC=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1ccccc1C=CC=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC18H18N6OSc125151032612(15)7511192417(222318(24)26)161384914(13)202116h23571011H489H21H3(H2021)(H2326)b75+1911+
MFCD05733603
ZINC000009359334
ZINC15986224

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Available files

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