Vitas-M small molecule compound

bis(2-methoxyethyl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK034142
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cn(nc1c1cccs1)c1ccccc1)C(=O)OCCOC)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 C28H31N3O6S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6S/c1-18-23(27(32)36-14-12-34-3)25(24(19(2)29-18)28(33)37-15-13-35-4)21-17-31(20-9-6-5-7-10-20)30-26(21)22-11-8-16-38-22/h5-11,16-17,25,29H,12-15H2,1-4H3
InChIKey
KPFYBQQCEKNIGR-UHFFFAOYSA-N
Synonyms
312746-35-3
312746353
35BIS(2METHOXYETHYL)26DIMETHYL4(1PHENYL3(THIOPHEN2YL)1HPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
BIS(2METHOXYETHYL)26DIMETHYL4(1PHENYL3(THIOPHEN2YL)1HPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
BIS(2METHOXYETHYL)26DIMETHYL4(1PHENYL3THIOPHEN2YLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC(=C(C1c1cn(nc1c1cccs1)c1ccccc1)C(=O)OCCOC)C
InChI=1SC28H31N3O6Sc11823(27(32)361412343)25(24(19(2)2918)28(33)371513354)211731(2096571020)3026(21)22118163822h51116172529H1215H214H3
MFCD01794325
STK034142
ZINC000033358299
ZINC33358299

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Available files

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