Vitas-M small molecule compound
methyl 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Catalog ID
STK689165
SMILES COC(=O)c1c(C)sc(c1O)c1c([nH]c2c1c(=O)[nH]c(=O)[nH]2)c1ccc(c(c1)F)OC
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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 C20H16FN3O6S MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O6S/c1-7-11(19(27)30-3)15(25)16(31-7)12-13-17(23-20(28)24-18(13)26)22-14(12)8-4-5-10(29-2)9(21)6-8/h4-6,25H,1-3H3,(H3,22,23,24,26,28)InChIKey
TVWYYXYWPJGQJU-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)C2=C(NC3=C2C(=O)NC(=O)N3)C4=CC(=C(C=C4)OC)F)O)C(=O)OC
COC(=O)c1c(C)sc(c1O)c1c((nH)c2c1c(=O)(nH)c(=O)(nH)2)c1ccc(c(c1)F)OC
InChI=1SC20H16FN3O6Sc1711(19(27)303)15(25)16(317)121317(2320(28)2418(13)26)2214(12)84510(292)9(21)68h4625H13H3(H32223242628)
METHYL5(6(3FLUORO4METHOXYPHENYL)24DIOXO17DIHYDROPYRROLO(23D)PYRIMIDIN5YL)4HYDROXY2METHYLTHIOPHENE3CARBOXYLATE
methyl5(6(3fluoro4methoxyphenyl)24dioxo2347tetrahydro1Hpyrrolo(23d)pyrimidin5yl)4hydroxy2methylthiophene3carboxylate
MFCD07800664
ZINC000012372144
ZINC12372144
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