Vitas-M small molecule compound
1-(4-benzylpiperazin-1-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)butan-1-one
Catalog ID
STL318768
SMILES CSCCC(C(=O)N1CCN(CC1)Cc1ccccc1)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 C22H31N5OS MW 413.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5OS/c1-17-15-18(2)24-22(23-17)25-20(9-14-29-3)21(28)27-12-10-26(11-13-27)16-19-7-5-4-6-8-19/h4-8,15,20H,9-14,16H2,1-3H3,(H,23,24,25)InChIKey
IGJIUCUAHXLBQR-UHFFFAOYSA-NSynonyms
1435904-93-01(4benzylpiperazin1yl)2((46dimethylpyrimidin2yl)amino)4(methylsulfanyl)butan1one
1(4benzylpiperazin1yl)2((46dimethylpyrimidin2yl)amino)4(methylthio)butan1one
1(4benzylpiperazin1yl)2((46dimethylpyrimidin2yl)amino)4methylsulfanylbutan1one
1435904930
CC1=CC(=NC(=N1)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C
InChI=1SC22H31N5OSc1171518(2)2422(2317)2520(914293)21(28)27121026(111327)16197546819h481520H91416H213H3(H232425)
MFCD23138927
ZINC000095479552
ZINC000095479553
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