Vitas-M small molecule compound
5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL053655
SMILES Sc1nnc(n1/N=C/c1ccc(cc1)C(F)(F)F)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 C16H13F3N6S MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N6S/c17-16(18,19)10-6-4-9(5-7-10)8-20-25-14(23-24-15(25)26)13-11-2-1-3-12(11)21-22-13/h4-8H,1-3H2,(H,21,22)(H,24,26)/b20-8+InChIKey
FASQSRCSNNWNIE-DNTJNYDQSA-NSynonyms
(E)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4((4(trifluoromethyl)benzylidene)amino)4H124triazole3thiol
3(1456tetrahydrocyclopenta(c)pyrazol3yl)4((E)(4(trifluoromethyl)phenyl)methylideneamino)1H124triazole5thione
4((1E)2(4(TRIFLUOROMETHYL)PHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
5(2456tetrahydrocyclopenta(c)pyrazol3yl)4(((E)(4(trifluoromethyl)phenyl)methylidene)amino)4H124triazole3thiol
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=C(C=C4)C(F)(F)F
InChI=1SC16H13F3N6Sc1716(1819)10649(5710)8202514(232415(25)26)131121312(11)212213h48H13H2(H2122)(H2426)b208+
MFCD05738767
Sc1nnc(n1N=Cc1ccc(cc1)C(F)(F)F)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1ccc(cc1)C(F)(F)F)c1n(nH)c2c1CCC2
ZINC000005626240
ZINC1279830
Check stock
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Check stock on Vitas-MAvailable files
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