Vitas-M small molecule compound

ethyl 1-acetyl-6-(3,4-dimethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate

Catalog ID
STL039903
SMILES CCOC(=O)C1=C(C)N=C(N(C1c1ccc(c(c1)OC)OC)C(=O)C)S

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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 C18H22N2O5S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O5S/c1-6-25-17(22)15-10(2)19-18(26)20(11(3)21)16(15)12-7-8-13(23-4)14(9-12)24-5/h7-9,16H,6H2,1-5H3,(H,19,26)
InChIKey
DQTWGDAVOCNYMX-UHFFFAOYSA-N
Synonyms
330567-77-6
330567776
3ACETYL4(34DIMETHOXYPHENYL)6METHYL2SULFANYLIDENE14DIHYDROPYRIMIDINE5CARBOXYLICACIDETHYLESTER
3ACETYL4(34DIMETHOXYPHENYL)6METHYL2THIOXO14DIHYDROPYRIMIDINE5CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=C(C=C2)OC)OC)C(=O)C)C
ethyl1acetyl6(34dimethoxyphenyl)4methyl2sulfanyl16dihydropyrimidine5carboxylate
ETHYL1ACETYL6(34DIMETHOXYPHENYL)4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
ETHYL3ACETYL4(34DIMETHOXYPHENYL)6METHYL2SULFANYLIDENE14DIHYDROPYRIMIDINE5CARBOXYLATE
ETHYL4(34DIMETHOXYPHENYL)3ETHANOYL6METHYL2SULFANYLIDENE14DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC18H22N2O5Sc162517(22)1510(2)1918(26)20(11(3)21)16(15)127813(234)14(912)245h7916H6H215H3(H1926)
MFCD03816558
ZINC000100473068
ZINC000100473074

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Available files

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