Vitas-M small molecule compound

methyl 3-({(E)-[1-(4-fluorophenyl)-2,4,6-trioxohexahydropyrimidin-5-yl]methylidene}amino)-2-methylbenzoate

Catalog ID
STK195910
SMILES COC(=O)c1cccc(c1C)/N=C/C1C(=O)NC(=O)N(C1=O)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 C20H16FN3O5 MW 397.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O5/c1-11-14(19(27)29-2)4-3-5-16(11)22-10-15-17(25)23-20(28)24(18(15)26)13-8-6-12(21)7-9-13/h3-10,15H,1-2H3,(H,23,25,28)/b22-10+
InChIKey
DTCIYANKKRCXLI-LSHDLFTRSA-N
Synonyms

COC(=O)c1cccc(c1C)N=CC1C(=O)NC(=O)N(C1=O)c1ccc(cc1)F
methyl3(((E)(1(4fluorophenyl)246trioxohexahydropyrimidin5yl)methylidene)amino)2methylbenzoate
MFCD06150594
ZINC000004738551
ZINC000004738552

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.