Vitas-M small molecule compound

diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(3,4-dimethoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407577
SMILES CCOC(=O)C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1cc(Br)c(c(c1)OCC)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 C28H32BrNO8 MW 590.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32BrNO8/c1-6-36-24-13-18(12-21(29)26(24)31)25-19(27(32)37-7-2)15-30(16-20(25)28(33)38-8-3)14-17-9-10-22(34-4)23(11-17)35-5/h9-13,15-16,25,31H,6-8,14H2,1-5H3
InChIKey
BZJILRJNIZINSZ-UHFFFAOYSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OCC)CC3=CC(=C(C=C3)OC)OC)C(=O)OCC)Br)O
diethyl4(3bromo5ethoxy4hydroxyphenyl)1((34dimethoxyphenyl)methyl)4Hpyridine35dicarboxylate
diethyl4(3bromo5ethoxy4hydroxyphenyl)1(34dimethoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL1((34DIMETHOXYPHENYL)METHYL)4(3BROMO5ETHOXY4HYDROXYPHENYL)5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC28H32BrNO8c1636241318(1221(29)26(24)31)2519(27(32)3772)1530(1620(25)28(33)3883)141791022(344)23(1117)355h91315162531H6814H215H3
MFCD04221597
ZINC000097939629
ZINC97939629

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Available files

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