Vitas-M small molecule compound
ethyl {[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK831050
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3
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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 C22H24N2O3S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S2/c1-2-27-18(25)14-28-22-23-20-19(16-10-6-7-11-17(16)29-20)21(26)24(22)13-12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3InChIKey
MLXVPAMUWXUFST-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4
ethyl((4oxo3(2phenylethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3(2phenylethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((4oxo3phenethyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
InChI=1SC22H24N2O3S2c122718(25)142822232019(1610671117(16)2920)21(26)24(22)1312158435915h3589H2671014H21H3
MFCD01959699
ZINC000002288800
ZINC02288800
ZINC2288800
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