Vitas-M small molecule compound
2-{[4-(3-bromophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK852843
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)N=C(CC1c1cccc(c1)Br)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 C20H15BrFN3O2S MW 460.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrFN3O2S/c21-13-3-1-2-12(8-13)16-9-18(26)25-20(17(16)10-23)28-11-19(27)24-15-6-4-14(22)5-7-15/h1-8,16H,9,11H2,(H,24,27)(H,25,26)InChIKey
AJFMCVAQNWKEJY-UHFFFAOYSA-NSynonyms
487033-33-02((4(3bromophenyl)3cyano6hydroxy45dihydropyridin2yl)sulfanyl)N(4fluorophenyl)acetamide
2((4(3BROMOPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(4FLUOROPHENYL)ACETAMIDE
487033330
C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC(=CC=C3)Br
InChI=1SC20H15BrFN3O2Sc211331212(813)16918(26)2520(17(16)1023)281119(27)24156414(22)5715h1816H911H2(H2427)(H2526)
MFCD07201170
ZINC000009110269
ZINC000009110270
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