Vitas-M small molecule compound
ethyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL172194
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1[N+](=O)[O-])OCC)O
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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 C16H19N3O6S MW 381.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O6S/c1-4-24-14-10(20)7-6-9(13(14)19(22)23)12-11(15(21)25-5-2)8(3)17-16(26)18-12/h6-7,12,20H,4-5H2,1-3H3,(H2,17,18,26)InChIKey
YUWMPIYHHIXQCI-UHFFFAOYSA-NSynonyms
692268-53-4692268534
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1(N+)(=O)(O))OCC)O
CCOC1=C(C=CC(=C1(N+)(=O)(O))C2C(=C(NC(=S)N2)C)C(=O)OCC)O
ETHYL4(3ETHOXY4HYDROXY2NITROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3ethoxy4hydroxy2nitrophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC16H19N3O6Sc14241410(20)769(13(14)19(22)23)1211(15(21)2552)8(3)1716(26)1812h671220H45H213H3(H2171826)
MFCD03720994
ZINC000004919556
ZINC000004919560
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