Vitas-M small molecule compound

dimethyl 1-[4-(methoxycarbonyl)phenyl]-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK405686
SMILES COC(=O)C1=CN(C=C(C1c1ccc(s1)C)C(=O)OC)c1ccc(cc1)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 C22H21NO6S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6S/c1-13-5-10-18(30-13)19-16(21(25)28-3)11-23(12-17(19)22(26)29-4)15-8-6-14(7-9-15)20(24)27-2/h5-12,19H,1-4H3
InChIKey
ISBSKRQFBBSVDH-UHFFFAOYSA-N
Synonyms

CC1=CC=C(S1)C2C(=CN(C=C2C(=O)OC)C3=CC=C(C=C3)C(=O)OC)C(=O)OC
dimethyl1(4(methoxycarbonyl)phenyl)4(5methylthiophen2yl)14dihydropyridine35dicarboxylate
DIMETHYL1(4METHOXYCARBONYLPHENYL)4(5METHYLTHIOPHEN2YL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC22H21NO6Sc11351018(3013)1916(21(25)283)1123(1217(19)22(26)294)158614(7915)20(24)272h51219H14H3
METHYL4(35BIS(METHOXYCARBONYL)4(5METHYL(2THIENYL))14DIHYDROPYRIDYL)BENZOATE
MFCD04216502
ZINC000001132198
ZINC01132198
ZINC1132198

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Available files

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