Vitas-M small molecule compound
6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxamide
Catalog ID
STK661498
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(C(C1c1cccs1)C(=O)Nc1ccccc1C)(C)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 C27H25BrN4O3S2 MW 597.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN4O3S2/c1-16-6-3-4-7-20(16)31-25(34)24-23(21-8-5-13-36-21)19(14-29)26(32-27(24,2)35)37-15-22(33)30-18-11-9-17(28)10-12-18/h3-13,23-24,32,35H,15H2,1-2H3,(H,30,33)(H,31,34)InChIKey
CPEBAGRSKQNSTI-UHFFFAOYSA-NSynonyms
6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano2hydroxy2methylN(2methylphenyl)4(thiophen2yl)1234tetrahydropyridine3carboxamide
6((2((4bromophenyl)amino)2oxoethyl)thio)5cyano2hydroxy2methyl4(thiophen2yl)N(otolyl)1234tetrahydropyridine3carboxamide
6(2(4BROMOANILINO)2OXOETHYL)SULFANYL5CYANO2HYDROXY2METHYLN(2METHYLPHENYL)4THIOPHEN2YL34DIHYDRO1HPYRIDINE3CARBOXAMIDE
CC1=CC=CC=C1NC(=O)C2C(C(=C(NC2(C)O)SCC(=O)NC3=CC=C(C=C3)Br)C#N)C4=CC=CS4
InChI=1SC27H25BrN4O3S2c116634720(16)3125(34)2423(2185133621)19(1429)26(3227(242)35)371522(33)301811917(28)101218h31323243235H15H212H3(H3033)(H3134)
MFCD01461541
ZINC000059832343
ZINC000239287327
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