Vitas-M small molecule compound
4-{[(E)-(2-chlorophenyl)methylidene]amino}-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK568181
SMILES Sc1nnc(n1/N=C/c1ccccc1Cl)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 C15H13ClN6S MW 344.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN6S/c16-11-6-2-1-4-9(11)8-17-22-14(20-21-15(22)23)13-10-5-3-7-12(10)18-19-13/h1-2,4,6,8H,3,5,7H2,(H,18,19)(H,21,23)/b17-8+InChIKey
MYYHKHRNIRYFJN-CAOOACKPSA-NSynonyms
(E)4((2chlorobenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(2chlorophenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(2CHLOROPHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(2chlorophenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
C1CC2=C(C1)NN=C2C3=NNC(=S)N3N=CC4=CC=CC=C4Cl
InChI=1SC15H13ClN6Sc161162149(11)8172214(202115(22)23)131053712(10)181913h12468H357H2(H1819)(H2123)b178+
MFCD05736270
Sc1nnc(n1N=Cc1ccccc1Cl)c1(nH)nc2c1CCC2
Sc1nnc(n1N=Cc1ccccc1Cl)c1n(nH)c2c1CCC2
ZINC000005626307
ZINC1276249
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