Vitas-M small molecule compound

2,2,2-trifluoroethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK363525
SMILES CCOc1cccc(c1)C1NC(=O)NC(=C1C(=O)OCC(F)(F)F)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 C16H17F3N2O4 MW 358.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F3N2O4/c1-3-24-11-6-4-5-10(7-11)13-12(9(2)20-15(23)21-13)14(22)25-8-16(17,18)19/h4-7,13H,3,8H2,1-2H3,(H2,20,21,23)
InChIKey
BVFKJIBRLXBVSN-UHFFFAOYSA-N
Synonyms

222trifluoroethyl4(3ethoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
222TRIFLUOROETHYL4(3ETHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
222TRIFLUOROETHYL6(3ETHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CCOC1=CC=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(F)(F)F
InChI=1SC16H17F3N2O4c13241164510(711)1312(9(2)2015(23)2113)14(22)25816(1718)19h4713H38H212H3(H2202123)
MFCD01192913
ZINC000000844440
ZINC000000844441

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Available files

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