Vitas-M small molecule compound
benzyl {[3-cyano-6-hydroxy-4-(naphthalen-1-yl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK846355
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1cccc2c1cccc2)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 C25H20N2O3S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O3S/c26-14-22-21(20-12-6-10-18-9-4-5-11-19(18)20)13-23(28)27-25(22)31-16-24(29)30-15-17-7-2-1-3-8-17/h1-12,21H,13,15-16H2,(H,27,28)InChIKey
CADZNJCXOYDAMT-UHFFFAOYSA-NSynonyms
benzyl((3cyano6hydroxy4(naphthalen1yl)45dihydropyridin2yl)sulfanyl)acetate
BENZYL2((5CYANO4NAPHTHALEN1YL2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC4=CC=CC=C43
InChI=1SC25H20N2O3Sc26142221(2012610189451119(18)20)1323(28)2725(22)311624(29)3015177213817h11221H131516H2(H2728)
MFCD03796352
ZINC000001296186
ZINC000001296189
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