Vitas-M small molecule compound

benzyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK844209
SMILES CCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccco1

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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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-3-28-19(26)14-31-22-17(12-24)21(18-10-7-11-29-18)20(15(2)25-22)23(27)30-13-16-8-5-4-6-9-16/h4-11,21,25H,3,13-14H2,1-2H3
InChIKey
ZBKXZQRMXFIQIG-UHFFFAOYSA-N
Synonyms
692774-36-0
692774360
benzyl5cyano6((2ethoxy2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6((2ETHOXY2OXOETHYL)THIO)4(2FURYL)2METHYL14DIHYDRO3PYRIDINECARBOXYLATE
benzyl5cyano6((2ethoxy2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6(2ETHOXY2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CO3)C#N
InChI=1SC23H22N2O5Sc132819(26)14312217(1224)21(18107112918)20(15(2)2522)23(27)3013168546916h4112125H31314H212H3
MFCD03671136
ZINC000100940717
ZINC000100940725

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Available files

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