Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826605
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C
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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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-18-9-6-7-12-22(18)31-24(32)17-36-27-21(15-29)26(23-13-8-14-34-23)25(19(2)30-27)28(33)35-16-20-10-4-3-5-11-20/h3-14,26,30H,16-17H2,1-2H3,(H,31,32)InChIKey
MOICBEYZZNVSIR-UHFFFAOYSA-NSynonyms
benzyl5cyano4(furan2yl)2methyl6((2((2methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl5cyano4(furan2yl)2methyl6(2(2methylanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
CC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CO4)C#N
InChI=1SC28H25N3O4Sc1189671222(18)3124(32)17362721(1529)26(23138143423)25(19(2)3027)28(33)351620104351120h3142630H1617H212H3(H3132)
MFCD10086572
ZINC000020347829
ZINC000020347831
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