Vitas-M small molecule compound

diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4-methoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK403960
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)OCC

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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 C26H28BrNO7 MW 546.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrNO7/c1-5-34-25(30)19-14-28(13-16-7-9-18(32-3)10-8-16)15-20(26(31)35-6-2)23(19)17-11-21(27)24(29)22(12-17)33-4/h7-12,14-15,23,29H,5-6,13H2,1-4H3
InChIKey
WUGVLSQSQVKIPZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC)CC3=CC=C(C=C3)OC
DIETHYL4(3BROMO4HYDROXY5METHOXYPHENYL)1((4METHOXYPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(3bromo4hydroxy5methoxyphenyl)1(4methoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL4(3BROMO4HYDROXY5METHOXYPHENYL)5(ETHOXYCARBONYL)1((4METHOXYPHENYL)METHYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H28BrNO7c153425(30)191428(13167918(323)10816)1520(26(31)3562)23(19)171121(27)24(29)22(1217)334h71214152329H5613H214H3
MFCD03632727
ZINC000002796952
ZINC2796952

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Available files

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