Vitas-M small molecule compound

dimethyl 4-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK071225
SMILES COC(=O)C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1ccc(c(c1)Br)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 C24H23BrFNO6 MW 520.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrFNO6/c1-30-20-8-5-14(9-21(20)31-2)11-27-12-16(23(28)32-3)22(17(13-27)24(29)33-4)15-6-7-19(26)18(25)10-15/h5-10,12-13,22H,11H2,1-4H3
InChIKey
XKSQYENGLIFFKQ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1ccc(c(c1)Br)F)C(=O)OC
COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C=C3)F)Br)C(=O)OC)OC
DIMETHYL4(3BROMO4FLUOROPHENYL)1((34DIMETHOXYPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL4(3BROMO4FLUOROPHENYL)1(34DIMETHOXYBENZYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC24H23BrFNO6c130208514(921(20)312)11271216(23(28)323)22(17(1327)24(29)334)156719(26)18(25)1015h510121322H11H214H3
METHYL1((34DIMETHOXYPHENYL)METHYL)4(3BROMO4FLUOROPHENYL)5(METHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03489582
STK071225
ZINC000002797046
ZINC02797046
ZINC2797046

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Available files

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