Vitas-M small molecule compound
ethyl 5-[6-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Catalog ID
STK786175
SMILES CCOC(=O)c1c(C)sc(c1O)c1c([nH]c2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1)F
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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 C22H20FN3O5S MW 457.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O5S/c1-5-31-21(29)13-10(2)32-18(17(13)27)14-15-19(25(3)22(30)26(4)20(15)28)24-16(14)11-6-8-12(23)9-7-11/h6-9,24,27H,5H2,1-4H3InChIKey
WQBJYKLHYFTPIF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1O)C2=C(NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)F)C
CCOC(=O)c1c(C)sc(c1O)c1c((nH)c2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1)F
ethyl5(6(4fluorophenyl)13dimethyl24dioxo2347tetrahydro1Hpyrrolo(23d)pyrimidin5yl)4hydroxy2methylthiophene3carboxylate
ethyl5(6(4fluorophenyl)13dimethyl24dioxo7Hpyrrolo(23d)pyrimidin5yl)4hydroxy2methylthiophene3carboxylate
InChI=1SC22H20FN3O5Sc153121(29)1310(2)3218(17(13)27)141519(25(3)22(30)26(4)20(15)28)2416(14)116812(23)9711h692427H5H214H3
MFCD08142854
ZINC000012413799
ZINC12413799
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