Vitas-M small molecule compound

methyl 4-[(4-acetylphenyl)carbamoyl]-1-(4-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

Catalog ID
STK399366
SMILES COC(=O)C1=C(C)N(C(=O)CC1C(=O)Nc1ccc(cc1)C(=O)C)c1ccc(cc1)Cl

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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 C23H21ClN2O5 MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O5/c1-13-21(23(30)31-3)19(12-20(28)26(13)18-10-6-16(24)7-11-18)22(29)25-17-8-4-15(5-9-17)14(2)27/h4-11,19H,12H2,1-3H3,(H,25,29)
InChIKey
HHVBBIFQHZYEHH-UHFFFAOYSA-N
Synonyms
1015556-77-0
1015556770
CC1=C(C(CC(=O)N1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)C)C(=O)OC
InChI=1SC23H21ClN2O5c11321(23(30)313)19(1220(28)26(13)1810616(24)71118)22(29)25178415(5917)14(2)27h41119H12H213H3(H2529)
methyl4((4acetylphenyl)carbamoyl)1(4chlorophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
methyl4((4acetylphenyl)carbamoyl)1(4chlorophenyl)6methyl2oxo34dihydropyridine5carboxylate
MFCD10479797
ZINC000019819098
ZINC000019819100

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Available files

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