Vitas-M small molecule compound
ethyl {[4-oxo-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STL307852
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3
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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-2-26-17(24)13-27-21-22-19-18(15-9-6-10-16(15)28-19)20(25)23(21)12-11-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3InChIKey
CWWKBFGGHHAYPJ-UHFFFAOYSA-NSynonyms
373615-08-8373615088
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CCC4=CC=CC=C4
ethyl((4oxo3(2phenylethyl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((1oxo2(2phenylethyl)78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetate
ethyl2((4oxo3phenethyl4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)acetate
InChI=1SC21H22N2O3S2c122617(24)132721221918(15961016(15)2819)20(25)23(21)1211147435814h3578H26913H21H3
MFCD01948761
ZINC000000986075
ZINC00986075
ZINC986075
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