Vitas-M small molecule compound
2-{[4-(3-bromophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STK851584
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)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 C23H22BrN3O2S MW 484.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O2S/c1-13-7-14(2)22(15(3)8-13)26-21(29)12-30-23-19(11-25)18(10-20(28)27-23)16-5-4-6-17(24)9-16/h4-9,18H,10,12H2,1-3H3,(H,26,29)(H,27,28)InChIKey
MMXWQVSXOHWEIF-UHFFFAOYSA-NSynonyms
497241-67-52((4(3bromophenyl)3cyano6hydroxy45dihydropyridin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((4(3BROMOPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(246TRIMETHYLPHENYL)ACETAMIDE
497241675
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N)C
InChI=1SC23H22BrN3O2Sc113714(2)22(15(3)813)2621(29)12302319(1125)18(1020(28)2723)1654617(24)916h4918H1012H213H3(H2629)(H2728)
MFCD07201910
ZINC000009110575
ZINC000009110576
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