Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(methylsulfanyl)butan-1-one
Catalog ID
STL309658
SMILES CSCCC(C(=O)N1CCN(CC1)c1ccc(cc1)F)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 C21H28FN5OS MW 417.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28FN5OS/c1-15-14-16(2)24-21(23-15)25-19(8-13-29-3)20(28)27-11-9-26(10-12-27)18-6-4-17(22)5-7-18/h4-7,14,19H,8-13H2,1-3H3,(H,23,24,25)InChIKey
AFLLBUOLTDZDOX-UHFFFAOYSA-NSynonyms
1435901-60-21435901602
2((46dimethylpyrimidin2yl)amino)1(4(4fluorophenyl)piperazin1yl)4(methylsulfanyl)butan1one
2((46dimethylpyrimidin2yl)amino)1(4(4fluorophenyl)piperazin1yl)4(methylthio)butan1one
2((46dimethylpyrimidin2yl)amino)1(4(4fluorophenyl)piperazin1yl)4methylsulfanylbutan1one
CC1=CC(=NC(=N1)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C
InChI=1SC21H28FN5OSc1151416(2)2421(2315)2519(813293)20(28)2711926(101227)186417(22)5718h471419H813H213H3(H232425)
MFCD23137124
ZINC000095472760
ZINC000095472761
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