Vitas-M small molecule compound

dimethyl 1-(tetrahydrofuran-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK013876
SMILES COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC

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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 C21H22F3NO5 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO5/c1-28-19(26)15-11-25(10-13-6-5-9-30-13)12-16(20(27)29-2)18(15)14-7-3-4-8-17(14)21(22,23)24/h3-4,7-8,11-13,18H,5-6,9-10H2,1-2H3
InChIKey
ZRVIDQKGIWSTQT-UHFFFAOYSA-N
Synonyms

1(TETRAHYDROFURAN2YLMETHYL)4(2TRIFLUOROMETHYLPHENYL)14DIHYDROPYRIDINE35DICARBOXYLICACIDDIMETHYLESTER
COC(=O)C1=CN(C=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OC)CC3CCCO3
COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC
DIMETHYL1(OXOLAN2YLMETHYL)4(2(TRIFLUOROMETHYL)PHENYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL1(TETRAHYDROFURAN2YLMETHYL)4(2(TRIFLUOROMETHYL)PHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC21H22F3NO5c12819(26)151125(10136593013)1216(20(27)292)18(15)14734817(14)21(2223)24h3478111318H56910H212H3
MFCD03489282
STK013876
ZINC000000815796
ZINC000000815797

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Available files

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