Vitas-M small molecule compound
2-{[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]amino}butan-1-ol
Catalog ID
STL347608
SMILES CCCCc1nc2sc3c(c2c2c1CCC2)nc(nc3NC(CO)CC)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 C21H28N4OS2 MW 416.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4OS2/c1-4-6-10-15-13-8-7-9-14(13)16-17-18(28-20(16)23-15)19(22-12(5-2)11-26)25-21(24-17)27-3/h12,26H,4-11H2,1-3H3,(H,22,24,25)InChIKey
BIQJPISUUKYERV-UHFFFAOYSA-NSynonyms
861121-32-62((4butyl9(methylsulfanyl)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)amino)butan1ol
2((4butyl9(methylthio)23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)amino)butan1ol
861121326
CCCCC1=C2CCCC2=C3C4=C(C(=NC(=N4)SC)NC(CC)CO)SC3=N1
InChI=1SC21H28N4OS2c14610151387914(13)161718(2820(16)2315)19(2212(52)1126)2521(2417)273h1226H411H213H3(H222425)
MFCD05683350
ZINC000005477964
ZINC000005477965
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