Vitas-M small molecule compound
ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK149433
SMILES CCOC(=O)N1CCN(CC1)Cn1nc(n(c1=S)C)c1ccccc1Cl
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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 C17H22ClN5O2S MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22ClN5O2S/c1-3-25-17(24)22-10-8-21(9-11-22)12-23-16(26)20(2)15(19-23)13-6-4-5-7-14(13)18/h4-7H,3,8-12H2,1-2H3InChIKey
IONWRXUJYXIVEQ-UHFFFAOYSA-NSynonyms
312288-57-6312288576
CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C
ETHYL4((3(2CHLOROPHENYL)4METHYL5SULFANYLIDENE124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
ETHYL4((3(2CHLOROPHENYL)4METHYL5THIOXO124TRIAZOLINYL)METHYL)PIPERAZINECARBOXYLATE
ETHYL4((3(2CHLOROPHENYL)4METHYL5THIOXO45DIHYDRO1H124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
InChI=1SC17H22ClN5O2Sc132517(24)2210821(91122)122316(26)20(2)15(1923)13645714(13)18h47H3812H212H3
MFCD01420275
ZINC000019842868
ZINC19842868
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