Vitas-M small molecule compound
benzyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK838436
SMILES CCOc1ccccc1C1C(=C(SCC(=O)OCc2ccccc2)NC(=O)C1C#N)C#N
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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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-2-30-20-11-7-6-10-17(20)22-18(12-25)23(29)27-24(19(22)13-26)32-15-21(28)31-14-16-8-4-3-5-9-16/h3-11,18,22H,2,14-15H2,1H3,(H,27,29)InChIKey
UBBAFFRJHAQSEP-UHFFFAOYSA-NSynonyms
361166-84-9361166849
benzyl((35dicyano4(2ethoxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
BENZYL2((35DICYANO4(2ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
benzyl2((35dicyano4(2ethoxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C#N
InChI=1SC24H21N3O4Sc12302011761017(20)2218(1225)23(29)2724(19(22)1326)321521(28)3114168435916h3111822H21415H21H3(H2729)
MFCD02239218
ZINC000009015104
ZINC000009015107
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