Vitas-M small molecule compound
2,2'-{[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]imino}diethanol
Catalog ID
STL347387
SMILES CCCCc1nc2sc3c(c2c2c1CCC2)nc(nc3N(CCO)CCO)SC
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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 C21H28N4O2S2 MW 432.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S2/c1-3-4-8-15-13-6-5-7-14(13)16-17-18(29-20(16)22-15)19(24-21(23-17)28-2)25(9-11-26)10-12-27/h26-27H,3-12H2,1-2H3InChIKey
XFGUHZONFBKTAX-UHFFFAOYSA-NSynonyms
849034-37-322((4butyl9(methylsulfanyl)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)imino)diethanol
22((4butyl9(methylthio)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)azanediyl)diethanol
849034373
CCCCC1=C2CCCC2=C3C4=C(C(=NC(=N4)SC)N(CCO)CCO)SC3=N1
InChI=1SC21H28N4O2S2c1348151365714(13)161718(2920(16)2215)19(2421(2317)282)25(91126)101227h2627H312H212H3
MFCD05682242
ZINC000009307152
ZINC09307152
ZINC9307152
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