Vitas-M small molecule compound
ethyl [1-(4-fluorobenzyl)-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetate
Catalog ID
STK615831
SMILES CCOC(=O)Cn1c(=O)n(Cc2ccc(cc2)F)c2c(c1=O)c1CCCCc1s2
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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 C21H21FN2O4S MW 416.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O4S/c1-2-28-17(25)12-23-19(26)18-15-5-3-4-6-16(15)29-20(18)24(21(23)27)11-13-7-9-14(22)10-8-13/h7-10H,2-6,11-12H2,1H3InChIKey
DDXKYBLZAQXNEW-UHFFFAOYSA-NSynonyms
904511-92-8904511928
CCOC(=O)CN1C(=O)C2=C(N(C1=O)CC3=CC=C(C=C3)F)SC4=C2CCCC4
ethyl(1(4fluorobenzyl)24dioxo145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)acetate
ethyl2(1((4fluorophenyl)methyl)24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)acetate
ethyl2(1(4fluorobenzyl)24dioxo125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)acetate
InChI=1SC21H21FN2O4Sc122817(25)122319(26)1815534616(15)2920(18)24(21(23)27)11137914(22)10813h710H261112H21H3
MFCD08285032
ZINC000006661484
ZINC06661484
ZINC6661484
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