Vitas-M small molecule compound

propan-2-yl 4-(2,4-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK406029
SMILES O=C1NC(=C(C(C1)c1ccc(cc1Cl)Cl)C(=O)OC(C)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 C16H17Cl2NO3 MW 342.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17Cl2NO3/c1-8(2)22-16(21)15-9(3)19-14(20)7-12(15)11-5-4-10(17)6-13(11)18/h4-6,8,12H,7H2,1-3H3,(H,19,20)
InChIKey
LNOKPZBZUKFIGW-UHFFFAOYSA-N
Synonyms

CC1=C(C(CC(=O)N1)C2=C(C=C(C=C2)Cl)Cl)C(=O)OC(C)C
InChI=1SC16H17Cl2NO3c18(2)2216(21)159(3)1914(20)712(15)115410(17)613(11)18h46812H7H213H3(H1920)
METHYLETHYL4(24DICHLOROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
MFCD06752839
propan2yl4(24dichlorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
PROPAN2YL4(24DICHLOROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
ZINC000004488925
ZINC000004488926

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Available files

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