Vitas-M small molecule compound
diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-chlorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK407347
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1cc2OCOc2cc1Br)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 C25H23BrClNO6 MW 548.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClNO6/c1-3-31-24(29)18-12-28(11-15-5-7-16(27)8-6-15)13-19(25(30)32-4-2)23(18)17-9-21-22(10-20(17)26)34-14-33-21/h5-10,12-13,23H,3-4,11,14H2,1-2H3InChIKey
JCKSAWNLNJXFJO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OCC)CC4=CC=C(C=C4)Cl
DIETHYL4(6BROMO13BENZODIOXOL5YL)1((4CHLOROPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(6bromo13benzodioxol5yl)1(4chlorobenzyl)14dihydropyridine35dicarboxylate
ETHYL4(6BROMO(2HBENZO(D)13DIOXOLEN5YL))1((4CHLOROPHENYL)METHYL)5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC25H23BrClNO6c133124(29)181228(11155716(27)8615)1319(25(30)3242)23(18)1792122(1020(17)26)34143321h510121323H341114H212H3
MFCD04057004
ZINC000002805670
ZINC2805670
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