Vitas-M small molecule compound

dimethyl 4-(3-bromo-4-methoxyphenyl)-1-(3-methoxypropyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407728
SMILES COCCCN1C=C(C(=O)OC)C(C(=C1)C(=O)OC)c1ccc(c(c1)Br)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 C20H24BrNO6 MW 454.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrNO6/c1-25-9-5-8-22-11-14(19(23)27-3)18(15(12-22)20(24)28-4)13-6-7-17(26-2)16(21)10-13/h6-7,10-12,18H,5,8-9H2,1-4H3
InChIKey
STYBKQQWFNJMPJ-UHFFFAOYSA-N
Synonyms

COCCCN1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C=C2)OC)Br)C(=O)OC
dimethyl4(3bromo4methoxyphenyl)1(3methoxypropyl)14dihydropyridine35dicarboxylate
DIMETHYL4(3BROMO4METHOXYPHENYL)1(3METHOXYPROPYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC20H24BrNO6c125958221114(19(23)273)18(15(1222)20(24)284)136717(262)16(21)1013h67101218H589H214H3
METHYL4(3BROMO4METHOXYPHENYL)5(METHOXYCARBONYL)1(3METHOXYPROPYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD07358956
ZINC000016447575
ZINC16447575

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Available files

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