Vitas-M small molecule compound
5-cyano-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887309
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1C)C
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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 C32H31FN4O2S MW 554.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31FN4O2S/c1-18-14-20(3)30(21(4)15-18)37-27(38)17-40-32-24(16-34)29(23-11-7-8-12-25(23)33)28(22(5)35-32)31(39)36-26-13-9-6-10-19(26)2/h6-15,29,35H,17H2,1-5H3,(H,36,39)(H,37,38)InChIKey
VHBRGVAAXXCEJS-UHFFFAOYSA-NSynonyms
5cyano4(2fluorophenyl)2methylN(2methylphenyl)6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxamide
5cyano4(2fluorophenyl)2methylN(2methylphenyl)6(2oxo2(246trimethylanilino)ethyl)sulfanyl14dihydropyridine3carboxamide
CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3F)C#N)SCC(=O)NC4=C(C=C(C=C4C)C)C)C
InChI=1SC32H31FN4O2Sc1181420(3)30(21(4)1518)3727(38)17403224(1634)29(2311781225(23)33)28(22(5)3532)31(39)362613961019(26)2h6152935H17H215H3(H3639)(H3738)
MFCD10088174
ZINC000102810020
ZINC000102810023
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