Vitas-M small molecule compound

2-(methylsulfanyl)ethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK406851
SMILES CSCCOC(=O)C1=C(C)NC(=O)CC1c1c(F)cccc1Cl

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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 C16H17ClFNO3S MW 357.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClFNO3S/c1-9-14(16(21)22-6-7-23-2)10(8-13(20)19-9)15-11(17)4-3-5-12(15)18/h3-5,10H,6-8H2,1-2H3,(H,19,20)
InChIKey
IVIWTUHMCIVPNH-UHFFFAOYSA-N
Synonyms

2(methylsulfanyl)ethyl4(2chloro6fluorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
2METHYLSULFANYLETHYL4(2CHLORO6FLUOROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
2METHYLTHIOETHYL4(2CHLORO6FLUOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCCSC
InChI=1SC16H17ClFNO3Sc1914(16(21)2267232)10(813(20)199)1511(17)43512(15)18h3510H68H212H3(H1920)
MFCD07402500
ZINC000004986831
ZINC000004986833

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.