Vitas-M small molecule compound
ethyl 2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]propanoate
Catalog ID
STK544587
SMILES CCOC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)CCC)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 C21H25N3O2S2 MW 415.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S2/c1-4-8-15-13-9-6-7-10-14(13)16-17-18(28-19(16)24-15)20(23-11-22-17)27-12(3)21(25)26-5-2/h11-12H,4-10H2,1-3H3InChIKey
NNTVLCLXXWPPQQ-UHFFFAOYSA-NSynonyms
497228-15-6497228156
CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SC(C)C(=O)OCC)SC3=N1
ethyl2((5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)propanoate
ethyl2((5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)propanoate
InChI=1SC21H25N3O2S2c14815139671014(13)161718(2819(16)2415)20(23112217)2712(3)21(25)2652h1112H410H213H3
MFCD03300398
ZINC000001295706
ZINC000001295707
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