Vitas-M small molecule compound
3-{5-cyano-6-hydroxy-4-methyl-3-[(4-methylphenyl)carbonyl]-2-oxo-3,6-dihydropyridin-1(2H)-yl}propyl 4-methylbenzoate
Catalog ID
STK908183
SMILES N#CC1=C(C)C(C(=O)N(C1O)CCCOC(=O)c1ccc(cc1)C)C(=O)c1ccc(cc1)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 C26H26N2O5 MW 446.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5/c1-16-5-9-19(10-6-16)23(29)22-18(3)21(15-27)24(30)28(25(22)31)13-4-14-33-26(32)20-11-7-17(2)8-12-20/h5-12,22,24,30H,4,13-14H2,1-3H3InChIKey
FKRHCKIYPZVEEZ-UHFFFAOYSA-NSynonyms
3(3cyano2hydroxy4methyl5(4methylbenzoyl)6oxo25dihydropyridin1yl)propyl4methylbenzoate
3(5cyano6hydroxy4methyl3((4methylphenyl)carbonyl)2oxo36dihydropyridin1(2H)yl)propyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)C2C(=C(C(N(C2=O)CCCOC(=O)C3=CC=C(C=C3)C)O)C#N)C
InChI=1SC26H26N2O5c1165919(10616)23(29)2218(3)21(1527)24(30)28(25(22)31)134143326(32)2011717(2)81220h512222430H41314H213H3
MFCD06647650
ZINC000016752320
ZINC000016752330
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