Vitas-M small molecule compound
methyl {[3,5-dicyano-6-hydroxy-4-(2-methylphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK647237
SMILES N#CC1C(=NC(=C(C1c1ccccc1C)C#N)SCC(=O)OC)O
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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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c1-10-5-3-4-6-11(10)15-12(7-18)16(22)20-17(13(15)8-19)24-9-14(21)23-2/h3-6,12,15H,9H2,1-2H3,(H,20,22)InChIKey
XYPSWAAPWIMKHZ-UHFFFAOYSA-NSynonyms
361166-76-9361166769
CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OC)C#N
InChI=1SC17H15N3O3Sc110534611(10)1512(718)16(22)2017(13(15)819)24914(21)232h361215H9H212H3(H2022)
methyl((35dicyano6hydroxy4(2methylphenyl)45dihydropyridin2yl)sulfanyl)acetate
METHYL2((35DICYANO4(2METHYLPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD18164503
ZINC000000189238
ZINC000000189244
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