Vitas-M small molecule compound
1,1'-{[9-(methylsulfanyl)-4-propyl-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
STL304099
SMILES CCCc1nc2sc3c(c2c2c1CCC2)nc(nc3N(CC(O)C)CC(O)C)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 C22H30N4O2S2 MW 446.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S2/c1-5-7-16-14-8-6-9-15(14)17-18-19(30-21(17)23-16)20(25-22(24-18)29-4)26(10-12(2)27)11-13(3)28/h12-13,27-28H,5-11H2,1-4H3InChIKey
OHPDWQQYQUBNCS-UHFFFAOYSA-NSynonyms
848684-00-411((9(methylsulfanyl)4propyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)imino)dipropan2ol
11((9(methylthio)4propyl23dihydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidin7yl)azanediyl)bis(propan2ol)
848684004
CCCC1=C2CCCC2=C3C4=C(C(=NC(=N4)SC)N(CC(C)O)CC(C)O)SC3=N1
InChI=1SC22H30N4O2S2c157161486915(14)171819(3021(17)2316)20(2522(2418)294)26(1012(2)27)1113(3)28h12132728H511H214H3
MFCD04191666
ZINC000002427477
ZINC000013786161
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