Vitas-M small molecule compound

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

Catalog ID
STK402671
SMILES O=C1NC(=C(C(N1)c1cccc2c1cccc2)C(=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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-13-18(20(24)27-12-15-8-5-11-26-15)19(23-21(25)22-13)17-10-4-7-14-6-2-3-9-16(14)17/h2-4,6-7,9-10,15,19H,5,8,11-12H2,1H3,(H2,22,23,25)
InChIKey
MBURMAKTUZLSEP-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=O)N1)C2=CC=CC3=CC=CC=C32)C(=O)OCC4CCCO4
InChI=1SC21H22N2O4c11318(20(24)27121585112615)19(2321(25)2213)17104714623916(14)17h24679101519H581112H21H3(H2222325)
MFCD01193108
OXOLAN2YLMETHYL4METHYL6NAPHTHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
OXOLAN2YLMETHYL6METHYL4NAPHTHALEN1YL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
tetrahydrofuran2ylmethyl6methyl4(naphthalen1yl)2oxo1234tetrahydropyrimidine5carboxylate
ZINC000001080975
ZINC000001080978

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Available files

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