Vitas-M small molecule compound
ethyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanoate
Catalog ID
STK539181
SMILES CCOC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)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 C22H26N4O3S2 MW 458.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S2/c1-3-29-22(27)13(2)30-21-18-17(23-12-24-21)16-14-6-4-5-7-15(14)19(25-20(16)31-18)26-8-10-28-11-9-26/h12-13H,3-11H2,1-2H3InChIKey
KHMVVUUCVUWKIA-UHFFFAOYSA-NSynonyms
385387-85-9385387859
CCOC(=O)C(C)SC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
ethyl2((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)propanoate
ethyl2((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)propanoate
InChI=1SC22H26N4O3S2c132922(27)13(2)30211817(23122421)1614645715(14)19(2520(16)3118)268102811926h1213H311H212H3
MFCD03285535
ZINC000020057809
ZINC000020057810
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