Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-4-(methylsulfanyl)butan-1-one
Catalog ID
STL313877
SMILES CSCCC(C(=O)N1CCN(CC1)C1CCS(=O)(=O)C1)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 C19H31N5O3S2 MW 441.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31N5O3S2/c1-14-12-15(2)21-19(20-14)22-17(4-10-28-3)18(25)24-8-6-23(7-9-24)16-5-11-29(26,27)13-16/h12,16-17H,4-11,13H2,1-3H3,(H,20,21,22)InChIKey
UASBDYUUBNJGDK-UHFFFAOYSA-NSynonyms
1435905-73-91435905739
2((46dimethylpyrimidin2yl)amino)1(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)4(methylsulfanyl)butan1one
2((46dimethylpyrimidin2yl)amino)1(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)4(methylthio)butan1one
2((46dimethylpyrimidin2yl)amino)1(4(11dioxothiolan3yl)piperazin1yl)4methylsulfanylbutan1one
CC1=CC(=NC(=N1)NC(CCSC)C(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)C
InChI=1SC19H31N5O3S2c1141215(2)2119(2014)2217(410283)18(25)248623(7924)1651129(2627)1316h121617H41113H213H3(H202122)
MFCD23138398
ZINC000095475931
ZINC000095475934
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