Vitas-M small molecule compound
1,1'-{[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]imino}dipropan-2-ol
Catalog ID
STL304220
SMILES CSc1nc(N(CC(O)C)CC(O)C)c2c(n1)c1c(s2)nc(c2c1CCC2)c1ccccc1
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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 C25H28N4O2S2 MW 480.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S2/c1-14(30)12-29(13-15(2)31)23-22-21(27-25(28-23)32-3)19-17-10-7-11-18(17)20(26-24(19)33-22)16-8-5-4-6-9-16/h4-6,8-9,14-15,30-31H,7,10-13H2,1-3H3InChIKey
LRMRLOARKSCLPT-UHFFFAOYSA-NSynonyms
847272-20-211((9(methylsulfanyl)4phenyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)imino)dipropan2ol
11((9(methylthio)4phenyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)azanediyl)bis(propan2ol)
847272202
CC(CN(CC(C)O)C1=NC(=NC2=C1SC3=NC(=C4CCCC4=C23)C5=CC=CC=C5)SC)O
InChI=1SC25H28N4O2S2c114(30)1229(1315(2)31)232221(2725(2823)323)19171071118(17)20(2624(19)3322)168546916h468914153031H71013H213H3
MFCD04179399
ZINC000013776486
ZINC000013776494
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