Vitas-M small molecule compound

methyl 5-phenyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STK323359
SMILES COC(=O)C1=C(Nc2n(C1c1ccccc1C(F)(F)F)ncn2)c1ccccc1

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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 C20H15F3N4O2 MW 400.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N4O2/c1-29-18(28)15-16(12-7-3-2-4-8-12)26-19-24-11-25-27(19)17(15)13-9-5-6-10-14(13)20(21,22)23/h2-11,17H,1H3,(H,24,25,26)
InChIKey
UKKCYJLPKKJHKV-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(N=C2N=CNN2C1C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4
InChI=1SC20H15F3N4O2c12918(28)1516(127324812)261924112527(19)17(15)139561014(13)20(2122)23h21117H1H3(H242526)
METHYL5PHENYL7(2(TRIFLUOROMETHYL)PHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
METHYL5PHENYL7(2(TRIFLUOROMETHYL)PHENYL)47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
MFCD06001938
ZINC000002871547
ZINC000002871548

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Available files

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