Vitas-M small molecule compound
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-cyclohexyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL115848
SMILES CCOC(=O)C1=C(NC(=C(C1C1CCCCC1)C#N)SCC(=O)N)c1ccccc1
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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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-2-29-23(28)20-19(15-9-5-3-6-10-15)17(13-24)22(30-14-18(25)27)26-21(20)16-11-7-4-8-12-16/h4,7-8,11-12,15,19,26H,2-3,5-6,9-10,14H2,1H3,(H2,25,27)InChIKey
LPVVCSIZVKASDS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C#N)SCC(=O)N)C3=CC=CC=C3
ethyl6((2amino2oxoethyl)sulfanyl)5cyano4cyclohexyl2phenyl14dihydropyridine3carboxylate
ETHYL6(2AMINO2OXOETHYL)SULFANYL5CYANO4CYCLOHEXYL2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC23H27N3O3Sc122923(28)2019(1595361015)17(1324)22(301418(25)27)2621(20)16117481216h4781112151926H235691014H21H3(H22527)
MFCD02047768
ZINC000000859177
ZINC000000859179
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