Vitas-M small molecule compound
benzyl 5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK844145
SMILES CCN(C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccco1)CC
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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-4-28(5-2)21(29)16-33-24-19(14-26)23(20-12-9-13-31-20)22(17(3)27-24)25(30)32-15-18-10-7-6-8-11-18/h6-13,23,27H,4-5,15-16H2,1-3H3InChIKey
DPEMFYNWADJESJ-UHFFFAOYSA-NSynonyms
693240-76-5693240765
benzyl5cyano6((2(diethylamino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
benzyl5cyano6((2(diethylamino)2oxoethyl)thio)4(furan2yl)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO6(2(DIETHYLAMINO)2OXOETHYL)SULFANYL4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CO3)C#N
InChI=1SC25H27N3O4Sc1428(52)21(29)16332419(1426)23(20129133120)22(17(3)2724)25(30)321518107681118h6132327H451516H213H3
MFCD03672000
ZINC000020170744
ZINC000020170746
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