Vitas-M small molecule compound

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

Catalog ID
STL048886
SMILES CC(c1ccc(cc1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2)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 C18H20N6S MW 352.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6S/c1-11(2)13-8-6-12(7-9-13)10-19-24-17(22-23-18(24)25)16-14-4-3-5-15(14)20-21-16/h6-11H,3-5H2,1-2H3,(H,20,21)(H,23,25)/b19-10+
InChIKey
ZWNNWORCPCVLLP-VXLYETTFSA-N
Synonyms

(E)4((4isopropylbenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(4(propan2yl)phenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4(METHYLETHYL)PHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4propan2ylphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CC(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
CC(c1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2)C
CC(c1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2)C
InChI=1SC18H20N6Sc111(2)138612(7913)10192417(222318(24)25)161443515(14)202116h611H35H212H3(H2021)(H2325)b1910+
MFCD05726737
ZINC000005563529
ZINC1235282

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Available files

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