Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK826881
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)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 C26H23ClFN3O2S MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClFN3O2S/c1-26(2)11-20-24(21(32)12-26)23(15-3-5-16(27)6-4-15)19(13-29)25(31-20)34-14-22(33)30-18-9-7-17(28)8-10-18/h3-10,23,31H,11-12,14H2,1-2H3,(H,30,33)InChIKey
OCQLAYPVWBQHKV-UHFFFAOYSA-NSynonyms
799819-86-62((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(4fluorophenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
799819866
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=C(C=C3)F)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C
InChI=1SC26H23ClFN3O2Sc126(2)112024(21(32)1226)23(153516(27)6415)19(1329)25(3120)341422(33)30189717(28)81018h3102331H111214H212H3(H3033)
MFCD03681970
ZINC000009331119
ZINC000009331122
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