Vitas-M small molecule compound
4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL053915
SMILES Sc1nnc(n1/N=C/c1cccc(c1)OCc1ccccc1)c1[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 C22H20N6OS MW 416.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6OS/c30-22-27-26-21(20-18-10-5-11-19(18)24-25-20)28(22)23-13-16-8-4-9-17(12-16)29-14-15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,10-11,14H2,(H,24,25)(H,27,30)/b23-13+InChIKey
ADIZHKQKCFEVAA-YDZHTSKRSA-NSynonyms
(E)4((3(benzyloxy)benzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(3(benzyloxy)phenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(3(PHENYLMETHOXY)PHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(3phenylmethoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC(=CC=C4)OCC5=CC=CC=C5
InChI=1SC22H20N6OSc3022272621(20181051119(18)242520)28(22)23131684917(1216)2914156213715h14691213H5101114H2(H2425)(H2730)b2313+
MFCD05725562
Sc1nnc(n1N=Cc1cccc(c1)OCc1ccccc1)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1cccc(c1)OCc1ccccc1)c1n(nH)c2c1CCC2
ZINC000006786221
ZINC1283186
Check stock
See real-time availability and sample size for STL053915 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.