Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826589
SMILES N#CC1=C(SCC(=O)Nc2ccccc2)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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-18-24(27(32)34-16-19-9-4-2-5-10-19)25(22-13-8-14-33-22)21(15-28)26(29-18)35-17-23(31)30-20-11-6-3-7-12-20/h2-14,25,29H,16-17H2,1H3,(H,30,31)InChIKey
YFLACLGIBABMRR-UHFFFAOYSA-NSynonyms
benzyl5cyano4(furan2yl)2methyl6((2oxo2(phenylamino)ethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl6(2anilino2oxoethyl)sulfanyl5cyano4(furan2yl)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
InChI=1SC27H23N3O4Sc11824(27(32)34161994251019)25(22138143322)21(1528)26(2918)351723(31)3020116371220h2142529H1617H21H3(H3031)
MFCD10086549
ZINC000020347798
ZINC000020347800
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