Vitas-M small molecule compound

pentyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK371349
SMILES CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1Cl

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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 C17H21ClN2O3 MW 336.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN2O3/c1-3-4-7-10-23-16(21)14-11(2)19-17(22)20-15(14)12-8-5-6-9-13(12)18/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H2,19,20,22)
InChIKey
BBXMMSHNSHRUBH-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)C
InChI=1SC17H21ClN2O3c1347102316(21)1411(2)1917(22)2015(14)12856913(12)18h568915H34710H212H3(H2192022)
MFCD00395921
pentyl4(2chlorophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
PENTYL4(2CHLOROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
PENTYL6(2CHLOROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
ZINC000004065732
ZINC000004065733

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Available files

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