Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK550487
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-18-25(28(33)36-16-19-7-4-3-5-8-19)26(23-9-6-14-35-23)22(15-29)27(30-18)37-17-24(32)31-20-10-12-21(34-2)13-11-20/h3-14,26,30H,16-17H2,1-2H3,(H,31,32)InChIKey
MBSJJDOENMOSGD-UHFFFAOYSA-NSynonyms
796881-47-5796881475
benzyl5cyano4(furan2yl)6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl5cyano4(furan2yl)6((2((4methoxyphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL5CYANO4(FURAN2YL)6(2(4METHOXYANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC28H25N3O5Sc11825(28(33)3616197435819)26(2396143523)22(1529)27(3018)371724(32)3120101221(342)131120h3142630H1617H212H3(H3132)
MFCD03670632
ZINC000002202338
ZINC000020150310
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