Vitas-M small molecule compound

ethyl 4-(2,7-dimethoxynaphthalen-1-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK764133
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1c(OC)ccc2c1cc(OC)cc2

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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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c1-5-26-19(23)16-11(2)21-20(27)22-18(16)17-14-10-13(24-3)8-6-12(14)7-9-15(17)25-4/h6-10,18H,5H2,1-4H3,(H2,21,22,27)
InChIKey
VVBBMSHJNSJNRX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC3=C2C=C(C=C3)OC)OC)C
ETHYL4(27DIMETHOXYNAPHTHALEN1YL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(27dimethoxynaphthalen1yl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ETHYL6(27DIMETHOXYNAPHTHYL)4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC20H22N2O4Sc152619(23)1611(2)2120(27)2218(16)17141013(243)8612(14)7915(17)254h61018H5H214H3(H2212227)
MFCD02086509
ZINC000001085322
ZINC000001085323

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Available files

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