Vitas-M small molecule compound
ethyl [3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Catalog ID
STK646846
SMILES CCOC(=O)Cn1c(=O)n(C2CCOC(C2)(C)C)c(=O)c2c1sc1c2CCCC1
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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 C21H28N2O5S MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O5S/c1-4-27-16(24)12-22-19-17(14-7-5-6-8-15(14)29-19)18(25)23(20(22)26)13-9-10-28-21(2,3)11-13/h13H,4-12H2,1-3H3InChIKey
FOZGOMNNEYUOLB-UHFFFAOYSA-NSynonyms
1010925-21-91010925219
CCOC(=O)CN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)C4CCOC(C4)(C)C
ethyl(3(22dimethyltetrahydro2Hpyran4yl)24dioxo345678hexahydro(1)benzothieno(23d)pyrimidin1(2H)yl)acetate
ethyl2(3(22dimethyloxan4yl)24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin1yl)acetate
ethyl2(3(22dimethyltetrahydro2Hpyran4yl)24dioxo345678hexahydrobenzo(45)thieno(23d)pyrimidin1(2H)yl)acetate
InChI=1SC21H28N2O5Sc142716(24)12221917(14756815(14)2919)18(25)23(20(22)26)139102821(23)1113h13H412H213H3
MFCD12204721
ZINC000012409434
ZINC000012409435
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