Vitas-M small molecule compound

dimethyl 1-(3-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407846
SMILES COC(=O)C1=CN(C=C(C1c1ccc(cc1)SC)C(=O)OC)c1cccc(c1)C

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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 C23H23NO4S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4S/c1-15-6-5-7-17(12-15)24-13-19(22(25)27-2)21(20(14-24)23(26)28-3)16-8-10-18(29-4)11-9-16/h5-14,21H,1-4H3
InChIKey
YNBXJEOORFRIMV-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)SC)C(=O)OC
dimethyl1(3methylphenyl)4(4(methylsulfanyl)phenyl)14dihydropyridine35dicarboxylate
DIMETHYL1(3METHYLPHENYL)4(4METHYLSULFANYLPHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC23H23NO4Sc11565717(1215)241319(22(25)272)21(20(1424)23(26)283)1681018(294)11916h51421H14H3
MFCD07358952
ZINC000004759533
ZINC04759533
ZINC4759533

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Available files

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