Vitas-M small molecule compound

2-phenylethyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK020679
SMILES O=C1NC(C(=C(N1C)C)C(=O)OCCc1ccccc1)c1ccccc1C(F)(F)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 C22H21F3N2O3 MW 418.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F3N2O3/c1-14-18(20(28)30-13-12-15-8-4-3-5-9-15)19(26-21(29)27(14)2)16-10-6-7-11-17(16)22(23,24)25/h3-11,19H,12-13H2,1-2H3,(H,26,29)
InChIKey
FPOVOPDXHWYWNI-UHFFFAOYSA-N
Synonyms
312622-31-4
2phenylethyl16dimethyl2oxo4(2(trifluoromethyl)phenyl)1234tetrahydropyrimidine5carboxylate
2PHENYLETHYL34DIMETHYL2OXO6(2(TRIFLUOROMETHYL)PHENYL)136TRIHYDROPYRIMIDINE5CARBOXYLATE
2phenylethyl34dimethyl2oxo6(2(trifluoromethyl)phenyl)16dihydropyrimidine5carboxylate
312622314
CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=CC=C3
InChI=1SC22H21F3N2O3c11418(20(28)301312158435915)19(2621(29)27(14)2)1610671117(16)22(2324)25h31119H1213H212H3(H2629)
MFCD01825165
O=C1NC(C(=C(N1C)C)C(=O)OCCc1ccccc1)c1ccccc1C(F)(F)F
PHENETHYL34DIMETHYL2OXO6(2(TRIFLUOROMETHYL)PHENYL)16DIHYDROPYRIMIDINE5CARBOXYLATE
STK020679
ZINC000000681737
ZINC000000681738

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Available files

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