Vitas-M small molecule compound
methyl 3-({(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STL054977
SMILES COC(=O)c1cccc(c1)N/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O
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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 C20H16FN3O5 MW 397.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O5/c1-29-19(27)13-3-2-4-15(9-13)22-10-16-17(25)23-20(28)24(18(16)26)11-12-5-7-14(21)8-6-12/h2-10,22H,11H2,1H3,(H,23,25,28)/b16-10+InChIKey
TUKGHZJZSMABSD-MHWRWJLKSA-NSynonyms
3((1(4FLUOROBENZYL)246TRIOXOTETRAHYDROPYRIMIDIN(5E)YLIDENEMETHYL)AMINO)BENZOICACIDMETHYLESTER
COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F
COC(=O)c1cccc(c1)NC=C1C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O
InChI=1SC20H16FN3O5c12919(27)1332415(913)22101617(25)2320(28)24(18(16)26)11125714(21)8612h21022H11H21H3(H232528)b1610+
METHYL3(((E)(1((4FLUOROPHENYL)METHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
methyl3(((E)(1(4fluorobenzyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)benzoate
MFCD05731274
ZINC000005981647
ZINC05981647
ZINC5981647
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