Vitas-M small molecule compound
methyl 4-[({2-[(4-fluoro-3-methylphenyl)amino]-4-methyl-6-oxopyrimidin-1(6H)-yl}acetyl)amino]benzoate
Catalog ID
STL080412
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1c(Nc2ccc(c(c2)C)F)nc(cc1=O)C
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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 C22H21FN4O4 MW 424.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O4/c1-13-10-17(8-9-18(13)23)26-22-24-14(2)11-20(29)27(22)12-19(28)25-16-6-4-15(5-7-16)21(30)31-3/h4-11H,12H2,1-3H3,(H,24,26)(H,25,28)InChIKey
YPQRRCCPZYPBPG-UHFFFAOYSA-NSynonyms
CC1=CC(=O)N(C(=N1)NC2=CC(=C(C=C2)F)C)CC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC22H21FN4O4c1131017(8918(13)23)26222414(2)1120(29)27(22)1219(28)25166415(5716)21(30)313h411H12H213H3(H2426)(H2528)
methyl4(((2((4fluoro3methylphenyl)amino)4methyl6oxopyrimidin1(6H)yl)acetyl)amino)benzoate
methyl4((2(2(4fluoro3methylanilino)4methyl6oxopyrimidin1yl)acetyl)amino)benzoate
MFCD18201178
ZINC000057507796
ZINC57507796
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