Vitas-M small molecule compound
propyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK559395
SMILES CCCOC(=O)CSC1=C(C#N)C(C(C(=N1)O)C#N)c1ccccc1OCC
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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-3-9-27-17(24)12-28-20-15(11-22)18(14(10-21)19(25)23-20)13-7-5-6-8-16(13)26-4-2/h5-8,14,18H,3-4,9,12H2,1-2H3,(H,23,25)InChIKey
KRXRGLBHTVKRKC-UHFFFAOYSA-NSynonyms
361166-82-72((35DICYANO2KETO4OPHENETYL34DIHYDRO1HPYRIDIN6YL)THIO)ACETICACIDPROPYLESTER
2((35DICYANO4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)THIO)ACETICACIDPROPYLESTER
CCCOC(=O)CSC1=C(C(C(C(=O)N1)C#N)C2=CC=CC=C2OCC)C#N
InChI=1SC20H21N3O4Sc1392717(24)12282015(1122)18(14(1021)19(25)2320)13756816(13)2642h581418H34912H212H3(H2325)
MFCD03798519
propyl((35dicyano4(2ethoxyphenyl)6hydroxy45dihydropyridin2yl)sulfanyl)acetate
PROPYL2((35DICYANO4(2ETHOXYPHENYL)2OXIDANYLIDENE34DIHYDRO1HPYRIDIN6YL)SULFANYL)ETHANOATE
PROPYL2((35DICYANO4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
ZINC000002292018
ZINC000002292021
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