Vitas-M small molecule compound

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

Catalog ID
STK402645
SMILES COc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OCC1CCCO1)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 C18H22N2O5 MW 346.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O5/c1-11-15(17(21)25-10-14-4-3-9-24-14)16(20-18(22)19-11)12-5-7-13(23-2)8-6-12/h5-8,14,16H,3-4,9-10H2,1-2H3,(H2,19,20,22)
InChIKey
KNLKKYYEYUUSQL-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OCC3CCCO3
InChI=1SC18H22N2O5c11115(17(21)2510144392414)16(2018(22)1911)125713(232)8612h581416H34910H212H3(H2192022)
MFCD01193330
OXOLAN2YLMETHYL4(4METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
OXOLAN2YLMETHYL6(4METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
tetrahydrofuran2ylmethyl4(4methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
ZINC000000126910
ZINC000000126932

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Available files

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