Vitas-M small molecule compound

ethyl 4-(3,4-diethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK868799
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)OCC)OCC

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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 C18H24N2O4S MW 364.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N2O4S/c1-5-22-13-9-8-12(10-14(13)23-6-2)16-15(17(21)24-7-3)11(4)19-18(25)20-16/h8-10,16H,5-7H2,1-4H3,(H2,19,20,25)
InChIKey
VJCOTCXGUCRXCE-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC
ETHYL4(34DIETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(34diethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC18H24N2O4Sc1522139812(1014(13)2362)1615(17(21)2473)11(4)1918(25)2016h81016H57H214H3(H2192025)
MFCD02932006
ZINC000004131664
ZINC000004131665

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Available files

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