Vitas-M small molecule compound
methyl 5-[6-(3-fluoro-4-methoxyphenyl)-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
STK785778
SMILES COC(=O)c1c(C)sc(c1O)c1c([nH]c2c1c(=O)[nH]c(=O)n2C)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 C21H18FN3O6S MW 459.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O6S/c1-8-12(20(28)31-4)16(26)17(32-8)13-14-18(25(2)21(29)24-19(14)27)23-15(13)9-5-6-11(30-3)10(22)7-9/h5-7,23,26H,1-4H3,(H,24,27,29)InChIKey
OGQHOGRMHSZXRR-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)C2=C(NC3=C2C(=O)NC(=O)N3C)C4=CC(=C(C=C4)OC)F)O)C(=O)OC
COC(=O)c1c(C)sc(c1O)c1c((nH)c2c1c(=O)(nH)c(=O)n2C)c1ccc(c(c1)F)OC
InChI=1SC21H18FN3O6Sc1812(20(28)314)16(26)17(328)131418(25(2)21(29)2419(14)27)2315(13)95611(303)10(22)79h572326H14H3(H242729)
methyl5(6(3fluoro4methoxyphenyl)1methyl24dioxo2347tetrahydro1Hpyrrolo(23d)pyrimidin5yl)4hydroxy2methylthiophene3carboxylate
METHYL5(6(3FLUORO4METHOXYPHENYL)1METHYL24DIOXO7HPYRROLO(23D)PYRIMIDIN5YL)4HYDROXY2METHYLTHIOPHENE3CARBOXYLATE
MFCD07800665
ZINC000012372145
ZINC12372145
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