Vitas-M small molecule compound
4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL041979
SMILES Fc1cccc(c1)/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 C15H13FN6S MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13FN6S/c16-10-4-1-3-9(7-10)8-17-22-14(20-21-15(22)23)13-11-5-2-6-12(11)18-19-13/h1,3-4,7-8H,2,5-6H2,(H,18,19)(H,21,23)/b17-8+InChIKey
PNJCBSBNZUBJCE-CAOOACKPSA-NSynonyms
(E)4((3fluorobenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(3fluorophenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(3FLUOROPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(3fluorophenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC(=CC=C4)F
Fc1cccc(c1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
Fc1cccc(c1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC15H13FN6Sc16104139(710)8172214(202115(22)23)131152612(11)181913h13478H256H2(H1819)(H2123)b178+
MFCD05728183
ZINC000005626229
ZINC1315148
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