Vitas-M small molecule compound

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

Catalog ID
STK407335
SMILES CCOC(=O)C1=CN(Cc2ccc(c(c2)OC)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 C27H30BrNO8 MW 576.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO8/c1-6-36-26(31)18-14-29(13-16-8-9-21(33-3)22(10-16)34-4)15-19(27(32)37-7-2)24(18)17-11-20(28)25(30)23(12-17)35-5/h8-12,14-15,24,30H,6-7,13H2,1-5H3
InChIKey
YNZYQMJJNBFDSY-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)OC
DIETHYL4(3BROMO4HYDROXY5METHOXYPHENYL)1((34DIMETHOXYPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(3bromo4hydroxy5methoxyphenyl)1(34dimethoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL1((34DIMETHOXYPHENYL)METHYL)4(3BROMO4HYDROXY5METHOXYPHENYL)5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC27H30BrNO8c163626(31)181429(13168921(333)22(1016)344)1519(27(32)3772)24(18)171120(28)25(30)23(1217)355h81214152430H6713H215H3
MFCD04056995
ZINC000002805665
ZINC2805665

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Available files

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