Vitas-M small molecule compound

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

Catalog ID
STL053224
SMILES COc1ccccc1/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 C16H16N6OS MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6OS/c1-23-13-8-3-2-5-10(13)9-17-22-15(20-21-16(22)24)14-11-6-4-7-12(11)18-19-14/h2-3,5,8-9H,4,6-7H2,1H3,(H,18,19)(H,21,24)/b17-9+
InChIKey
MLIVJCSKXBWEPP-RQZCQDPDSA-N
Synonyms

(E)4((2methoxybenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(2methoxyphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(2METHOXYPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(2methoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=CC=CC=C1C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
COc1ccccc1C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1ccccc1C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC16H16N6OSc12313832510(13)9172215(202116(22)24)141164712(11)181914h23589H467H21H3(H1819)(H2124)b179+
MFCD05734848
ZINC000005625665
ZINC1274144

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Available files

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