Vitas-M small molecule compound
ethyl 5-cyano-2-phenyl-6-(prop-2-en-1-ylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886920
SMILES C=CCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C(=O)OCC)c1cccs1
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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 C22H20N2O2S2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O2S2/c1-3-12-28-21-16(14-23)18(17-11-8-13-27-17)19(22(25)26-4-2)20(24-21)15-9-6-5-7-10-15/h3,5-11,13,18,24H,1,4,12H2,2H3InChIKey
NCCZVLJCSBHVTE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC=C)C3=CC=CC=C3
ethyl5cyano2phenyl6(prop2en1ylsulfanyl)4(thiophen2yl)14dihydropyridine3carboxylate
ethyl5cyano2phenyl6prop2enylsulfanyl4thiophen2yl14dihydropyridine3carboxylate
InChI=1SC22H20N2O2S2c1312282116(1423)18(17118132717)19(22(25)2642)20(2421)1596571015h3511131824H1412H22H3
MFCD10087589
ZINC000020348240
ZINC000020348242
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