Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(methylsulfanyl)butan-1-one
Catalog ID
STL316505
SMILES CSCCC(C(=O)N1CCN(CC1)c1ccc(cc1)OC)Nc1nc(C)cc(n1)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 C22H31N5O2S MW 429.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O2S/c1-16-15-17(2)24-22(23-16)25-20(9-14-30-4)21(28)27-12-10-26(11-13-27)18-5-7-19(29-3)8-6-18/h5-8,15,20H,9-14H2,1-4H3,(H,23,24,25)InChIKey
RDWQDOKHLVACIT-UHFFFAOYSA-NSynonyms
1435898-92-21435898922
2((46dimethylpyrimidin2yl)amino)1(4(4methoxyphenyl)piperazin1yl)4(methylsulfanyl)butan1one
2((46dimethylpyrimidin2yl)amino)1(4(4methoxyphenyl)piperazin1yl)4(methylthio)butan1one
2((46dimethylpyrimidin2yl)amino)1(4(4methoxyphenyl)piperazin1yl)4methylsulfanylbutan1one
CC1=CC(=NC(=N1)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C
InChI=1SC22H31N5O2Sc1161517(2)2422(2316)2520(914304)21(28)27121026(111327)185719(293)8618h581520H914H214H3(H232425)
MFCD23138587
ZINC000095477820
ZINC000095477821
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