Vitas-M small molecule compound
ethyl 3-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-4-carboxylate
Catalog ID
STL073060
SMILES CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C
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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 C17H22N4O4S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O4S/c1-3-25-17(22)15-12-18-19-16(15)26(23,24)21-10-8-20(9-11-21)14-6-4-13(2)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)InChIKey
GSYGKNYGHCRHNQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C
CCOC(=O)c1c(nH)nc1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C
ethyl3((4(4methylphenyl)piperazin1yl)sulfonyl)1Hpyrazole4carboxylate
ethyl5(4(4methylphenyl)piperazin1yl)sulfonyl1Hpyrazole4carboxylate
InChI=1SC17H22N4O4Sc132517(22)1512181916(15)26(2324)2110820(91121)146413(2)5714h4712H3811H212H3(H1819)
MFCD18194695
ZINC000057478136
ZINC57478136
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