Vitas-M small molecule compound
2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK550681
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)NC1CCCCC1
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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 C25H30ClN3O4S MW 504.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O4S/c1-16-22(25(31)33-13-12-32-2)23(17-8-10-18(26)11-9-17)20(14-27)24(28-16)34-15-21(30)29-19-6-4-3-5-7-19/h8-11,19,23,28H,3-7,12-13,15H2,1-2H3,(H,29,30)InChIKey
KFNLSSQOOCRSOC-UHFFFAOYSA-NSynonyms
799776-95-72methoxyethyl4(4chlorophenyl)5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
2methoxyethyl4(4chlorophenyl)5cyano6((2(cyclohexylamino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
2METHOXYETHYL4(4CHLOROPHENYL)5CYANO6(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
799776957
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCCOC
InChI=1SC25H30ClN3O4Sc11622(25(31)331312322)23(1781018(26)11917)20(1427)24(2816)341521(30)29196435719h811192328H37121315H212H3(H2930)
MFCD03673021
ZINC000020170936
ZINC000020170937
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