Vitas-M small molecule compound

dimethyl 1-(4-methoxybenzyl)-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK094112
SMILES COC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(s1)C)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 C22H23NO5S MW 413.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5S/c1-14-5-10-19(29-14)20-17(21(24)27-3)12-23(13-18(20)22(25)28-4)11-15-6-8-16(26-2)9-7-15/h5-10,12-13,20H,11H2,1-4H3
InChIKey
LVODIIPTENRFBI-UHFFFAOYSA-N
Synonyms

CC1=CC=C(S1)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)OC)C(=O)OC
COC(=O)C1=CN(Cc2ccc(cc2)OC)C=C(C1c1ccc(s1)C)C(=O)OC
DIMETHYL1((4METHOXYPHENYL)METHYL)4(5METHYLTHIOPHEN2YL)4HPYRIDINE35DICARBOXYLATE
DIMETHYL1(4METHOXYBENZYL)4(5METHYLTHIOPHEN2YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC22H23NO5Sc11451019(2914)2017(21(24)273)1223(1318(20)22(25)284)11156816(262)9715h510121320H11H214H3
METHYL5(METHOXYCARBONYL)1((4METHOXYPHENYL)METHYL)4(5METHYL(2THIENYL))14DIHYDROPYRIDINE3CARBOXYLATE
MFCD02104970
STK094112
ZINC000000781133
ZINC00781133
ZINC781133

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Available files

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