Vitas-M small molecule compound

2-cyanoethyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK402415
SMILES N#CCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC

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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 C16H17N3O4 MW 315.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4/c1-10-13(15(20)23-9-5-8-17)14(19-16(21)18-10)11-6-3-4-7-12(11)22-2/h3-4,6-7,14H,5,9H2,1-2H3,(H2,18,19,21)
InChIKey
XSZMNJDHDLEKOU-UHFFFAOYSA-N
Synonyms

2cyanoethyl4(2methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2CYANOETHYL4(2METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2CYANOETHYL6(2METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC)C(=O)OCCC#N
InChI=1SC16H17N3O4c11013(15(20)2395817)14(1916(21)1810)11634712(11)222h346714H59H212H3(H2181921)
MFCD01192238
ZINC000004189364
ZINC000004189366

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Available files

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