Vitas-M small molecule compound
4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL053744
SMILES CCN(c1ccc(cc1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2)CC
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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 C19H23N7S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N7S/c1-3-25(4-2)14-10-8-13(9-11-14)12-20-26-18(23-24-19(26)27)17-15-6-5-7-16(15)21-22-17/h8-12H,3-7H2,1-2H3,(H,21,22)(H,24,27)/b20-12+InChIKey
WHKFSQFPWRMBCQ-UDWIEESQSA-NSynonyms
(E)4((4(diethylamino)benzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(4(diethylamino)phenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(4(DIETHYLAMINO)PHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(4(diethylamino)phenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
CCN(c1ccc(cc1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2)CC
CCN(c1ccc(cc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2)CC
CCN(CC)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4
InChI=1SC19H23N7Sc1325(42)1410813(91114)12202618(232419(26)27)171565716(15)212217h812H37H212H3(H2122)(H2427)b2012+
MFCD05735891
ZINC000005625416
ZINC1275757
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.