Vitas-M small molecule compound

dimethyl 1-(4-methoxybenzyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK062266
SMILES COC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(cc1)OC(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 C24H22F3NO6 MW 477.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F3NO6/c1-31-17-8-4-15(5-9-17)12-28-13-19(22(29)32-2)21(20(14-28)23(30)33-3)16-6-10-18(11-7-16)34-24(25,26)27/h4-11,13-14,21H,12H2,1-3H3
InChIKey
QXOHTIBLEOUGCL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(cc1)OC(F)(F)F)C(=O)OC
COC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)OC(F)(F)F)C(=O)OC
DIMETHYL1((4METHOXYPHENYL)METHYL)4(4(TRIFLUOROMETHOXY)PHENYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL1(4METHOXYBENZYL)4(4(TRIFLUOROMETHOXY)PHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC24H22F3NO6c131178415(5917)12281319(22(29)322)21(20(1428)23(30)333)1661018(11716)3424(2526)27h411131421H12H213H3
METHYL5(METHOXYCARBONYL)1((4METHOXYPHENYL)METHYL)4(4(TRIFLUOROMETHOXY)PHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD02105004
STK062266
ZINC000000718783
ZINC00718783
ZINC718783

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Available files

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