Vitas-M small molecule compound

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

Catalog ID
STL051796
SMILES C/C(=C\c1ccccc1)/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 C18H18N6S MW 350.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6S/c1-12(10-13-6-3-2-4-7-13)11-19-24-17(22-23-18(24)25)16-14-8-5-9-15(14)20-21-16/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,21)(H,23,25)/b12-10+,19-11+
InChIKey
SNAPRHASIFSLGQ-WHVSFRINSA-N
Synonyms

4(((1E2E)2methyl3phenylprop2en1ylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((E)((E)2methyl3phenylallylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((E)((E)2methyl3phenylprop2enylidene)amino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CC(=CC1=CC=CC=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
CC(=Cc1ccccc1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
CC(=Cc1ccccc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC18H18N6Sc112(10136324713)11192417(222318(24)25)161485915(14)202116h24671011H589H21H3(H2021)(H2325)b1210+1911+
MFCD05732370
ZINC000009356852
ZINC33333708

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Available files

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