Vitas-M small molecule compound

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

Catalog ID
STK030712
SMILES COC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(c(c1)Cl)Cl)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 C22H18Cl3NO4 MW 466.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl3NO4/c1-29-21(27)16-11-26(10-13-3-6-15(23)7-4-13)12-17(22(28)30-2)20(16)14-5-8-18(24)19(25)9-14/h3-9,11-12,20H,10H2,1-2H3
InChIKey
CSMRRTADSAYKOT-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)Cl)C(=O)OC)CC3=CC=C(C=C3)Cl
COC(=O)C1=CN(Cc2ccc(cc2)Cl)C=C(C1c1ccc(c(c1)Cl)Cl)C(=O)OC
DIMETHYL1((4CHLOROPHENYL)METHYL)4(34DICHLOROPHENYL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL1(4CHLOROBENZYL)4(34DICHLOROPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC22H18Cl3NO4c12921(27)161126(10133615(23)7413)1217(22(28)302)20(16)145818(24)19(25)914h39111220H10H212H3
METHYL4(34DICHLOROPHENYL)1((4CHLOROPHENYL)METHYL)5(METHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD02105413
STK030712
ZINC000002784330
ZINC02784330
ZINC2784330

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Available files

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