Vitas-M small molecule compound
benzyl 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886017
SMILES N#CC1=C(SCC(=O)Nc2ccccc2CC)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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-3-21-12-7-8-13-23(21)32-25(33)18-37-28-22(16-30)27(24-14-9-15-35-24)26(19(2)31-28)29(34)36-17-20-10-5-4-6-11-20/h4-15,27,31H,3,17-18H2,1-2H3,(H,32,33)InChIKey
REYJHSJXDLTUSJ-UHFFFAOYSA-NSynonyms
benzyl5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
benzyl5cyano6(2(2ethylanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carboxylate
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CO4)C#N
InChI=1SC29H27N3O4Sc132112781323(21)3225(33)18372822(1630)27(24149153524)26(19(2)3128)29(34)361720105461120h4152731H31718H212H3(H3233)
MFCD10086555
ZINC000020347809
ZINC000020347811
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