Vitas-M small molecule compound
ethyl 5-[6-(4-fluorophenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Catalog ID
STK689261
SMILES CCOC(=O)c1c(C)sc(c1O)c1c([nH]c2c1c(=O)[nH]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 C21H18FN3O5S MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O5S/c1-4-30-20(28)12-9(2)31-17(16(12)26)13-14-18(25(3)21(29)24-19(14)27)23-15(13)10-5-7-11(22)8-6-10/h5-8,23,26H,4H2,1-3H3,(H,24,27,29)InChIKey
FEAJWXXUCUIVPY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1O)C2=C(NC3=C2C(=O)NC(=O)N3C)C4=CC=C(C=C4)F)C
CCOC(=O)c1c(C)sc(c1O)c1c((nH)c2c1c(=O)(nH)c(=O)n2C)c1ccc(cc1)F
ETHYL5(6(4FLUOROPHENYL)1METHYL24DIOXO(13DIHYDROPYRROLO(23D)PYRIMIDIN5YL))4HYDROXY2METHYLTHIOPHENE3CARBOXYLATE
ethyl5(6(4fluorophenyl)1methyl24dioxo2347tetrahydro1Hpyrrolo(23d)pyrimidin5yl)4hydroxy2methylthiophene3carboxylate
ETHYL5(6(4FLUOROPHENYL)1METHYL24DIOXO7HPYRROLO(23D)PYRIMIDIN5YL)4HYDROXY2METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H18FN3O5Sc143020(28)129(2)3117(16(12)26)131418(25(3)21(29)2419(14)27)2315(13)105711(22)8610h582326H4H213H3(H242729)
MFCD07800850
ZINC000012413798
ZINC12413798
Check stock
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Check stock on Vitas-MAvailable files
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