Vitas-M small molecule compound
benzyl {[3,5-dicyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK887476
SMILES N#CC1C(=O)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)OCc1ccccc1
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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 C23H19N3O4S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4S/c1-29-19-10-6-5-9-16(19)21-17(11-24)22(28)26-23(18(21)12-25)31-14-20(27)30-13-15-7-3-2-4-8-15/h2-10,17,21H,13-14H2,1H3,(H,26,28)InChIKey
VUNQDEFBEBGEIG-UHFFFAOYSA-NSynonyms
375354-98-6375354986
benzyl((35dicyano4(2methoxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
BENZYL2((35DICYANO4(2METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
benzyl2((35dicyano4(2methoxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C#N
InChI=1SC23H19N3O4Sc129191065916(19)2117(1124)22(28)2623(18(21)1225)311420(27)3013157324815h2101721H1314H21H3(H2628)
MFCD02238010
ZINC000002296082
ZINC000002296085
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