Vitas-M small molecule compound

methyl 1,6-dimethyl-2-oxo-4-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK509319
SMILES COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(o1)c1cccc(c1)C(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 C19H17F3N2O4 MW 394.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N2O4/c1-10-15(17(25)27-3)16(23-18(26)24(10)2)14-8-7-13(28-14)11-5-4-6-12(9-11)19(20,21)22/h4-9,16H,1-3H3,(H,23,26)
InChIKey
PWCNOXJAJXQYRP-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=O)N1C)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC
InChI=1SC19H17F3N2O4c11015(17(25)273)16(2318(26)24(10)2)148713(2814)1154612(911)19(2021)22h4916H13H3(H2326)
methyl16dimethyl2oxo4(5(3(trifluoromethyl)phenyl)furan2yl)1234tetrahydropyrimidine5carboxylate
METHYL34DIMETHYL2OXO6(5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)16DIHYDROPYRIMIDINE5CARBOXYLATE
MFCD03080230
ZINC000001159400
ZINC000001159401

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Available files

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