Vitas-M small molecule compound
N-benzyl-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK886402
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)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 C27H26ClN3O2S MW 492.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S/c1-27(2)12-21-25(22(32)13-27)24(18-8-10-19(28)11-9-18)20(14-29)26(31-21)34-16-23(33)30-15-17-6-4-3-5-7-17/h3-11,24,31H,12-13,15-16H2,1-2H3,(H,30,33)InChIKey
KWZWTFVBHMPFJZ-UHFFFAOYSA-NSynonyms
799778-22-6799778226
CC1(CC2=C(C(C(=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C
InChI=1SC27H26ClN3O2Sc127(2)122125(22(32)1327)24(1881019(28)11918)20(1429)26(3121)341623(33)3015176435717h3112431H12131516H212H3(H3033)
MFCD03673440
Nbenzyl2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
Nbenzyl2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetamide
Nbenzyl2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000009076420
ZINC000009076421
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