Vitas-M small molecule compound

dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2-methoxy-2-oxoethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK402825
SMILES COC(=O)CN1C=C(C(=O)OC)C(C(=C1)C(=O)OC)c1cc(Br)c(c(c1)OC)O

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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 C19H20BrNO8 MW 470.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrNO8/c1-26-14-6-10(5-13(20)17(14)23)16-11(18(24)28-3)7-21(9-15(22)27-2)8-12(16)19(25)29-4/h5-8,16,23H,9H2,1-4H3
InChIKey
LTSDLUMTSPGQLZ-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC(=O)OC)C(=O)OC)Br)O
dimethyl4(3bromo4hydroxy5methoxyphenyl)1(2methoxy2oxoethyl)14dihydropyridine35dicarboxylate
DIMETHYL4(3BROMO4HYDROXY5METHOXYPHENYL)1(2METHOXY2OXOETHYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC19H20BrNO8c12614610(513(20)17(14)23)1611(18(24)283)721(915(22)272)812(16)19(25)294h581623H9H214H3
MFCD03145235
ZINC000001151751
ZINC01151751
ZINC1151751

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Available files

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