Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Catalog ID
STK827116
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CCC2
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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 C26H21ClF3N3O2S MW 531.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClF3N3O2S/c1-14-18(27)8-4-9-19(14)32-22(35)13-36-25-16(12-31)23(24-20(33-25)10-5-11-21(24)34)15-6-2-3-7-17(15)26(28,29)30/h2-4,6-9,23,33H,5,10-11,13H2,1H3,(H,32,35)InChIKey
OJYNXWQQHRXJEQ-UHFFFAOYSA-NSynonyms
370847-66-8370847668
CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C(F)(F)F)C#N
InChI=1SC26H21ClF3N3O2Sc11418(27)84919(14)3222(35)13362516(1231)23(2420(3325)1051121(24)34)15623717(15)26(2829)30h24692333H5101113H21H3(H3235)
MFCD02999710
N(3chloro2methylphenyl)2((3cyano5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinolin2yl)sulfanyl)acetamide
N(3chloro2methylphenyl)2((3cyano5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinolin2yl)thio)acetamide
N(3chloro2methylphenyl)2((3cyano5oxo4(2(trifluoromethyl)phenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
ZINC000002310200
ZINC000002310201
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