Vitas-M small molecule compound
benzyl 5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826609
SMILES N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)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 C33H27N3O4S MW 561.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O4S/c1-23-30(33(38)40-21-24-12-5-2-6-13-24)31(28-18-11-19-39-28)27(20-34)32(35-23)41-22-29(37)36(25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-19,31,35H,21-22H2,1H3InChIKey
NHAUMFCTAHKGPL-UHFFFAOYSA-NSynonyms
benzyl5cyano4(furan2yl)2methyl6(2oxo2(Nphenylanilino)ethyl)sulfanyl14dihydropyridine3carboxylate
benzyl5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)OCC5=CC=CC=C5
InChI=1SC33H27N3O4Sc12330(33(38)402124125261324)31(281811193928)27(2034)32(3523)412229(37)36(25147381525)261694101726h2193135H2122H21H3
MFCD10086578
ZINC000102809582
ZINC000102809584
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