Vitas-M small molecule compound

dimethyl 1-(4-chlorobenzyl)-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK003330
SMILES COC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(c(c1OC)OC)OC)C(=O)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 C25H26ClNO7 MW 487.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO7/c1-30-20-11-10-17(22(31-2)23(20)32-3)21-18(24(28)33-4)13-27(14-19(21)25(29)34-5)12-15-6-8-16(26)9-7-15/h6-11,13-14,21H,12H2,1-5H3
InChIKey
AMTFCBMNVLLRDI-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(c(c1OC)OC)OC)C(=O)OC
COC1=C(C(=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)Cl)C(=O)OC)OC)OC
DIMETHYL1((4CHLOROPHENYL)METHYL)4(234TRIMETHOXYPHENYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL1(4CHLOROBENZYL)4(234TRIMETHOXYPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC25H26ClNO7c13020111017(22(312)23(20)323)2118(24(28)334)1327(1419(21)25(29)345)12156816(26)9715h611131421H12H215H3
METHYL1((4CHLOROPHENYL)METHYL)5(METHOXYCARBONYL)4(234TRIMETHOXYPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD02375867
STK003330
ZINC000000717191
ZINC00717191
ZINC717191

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Available files

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