Vitas-M small molecule compound
ethyl 4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-thioxohexahydropyrimidine-5-carboxylate
Catalog ID
STK766372
SMILES CCOC(=O)C1C(NC(=S)NC1(C)O)c1ccc(cc1)[N+](=O)[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 C14H17N3O5S MW 339.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O5S/c1-3-22-12(18)10-11(15-13(23)16-14(10,2)19)8-4-6-9(7-5-8)17(20)21/h4-7,10-11,19H,3H2,1-2H3,(H2,15,16,23)InChIKey
MZJXZKVHHNSFHZ-UHFFFAOYSA-NSynonyms
4HYDROXY4METHYL6(4NITROPHENYL)2THIOXOHEXAHYDROPYRIMIDINE5CARBOXYLICACIDETHYLESTER
CCOC(=O)C1C(NC(=S)NC1(C)O)c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1C(NC(=S)NC1(C)O)C2=CC=C(C=C2)(N+)(=O)(O)
ETHYL4HYDROXY4METHYL6(4NITROPHENYL)2SULFANYLIDENE13DIAZINANE5CARBOXYLATE
ETHYL4HYDROXY4METHYL6(4NITROPHENYL)2THIOXOHEXAHYDRO5PYRIMIDINECARBOXYLATE
ethyl4hydroxy4methyl6(4nitrophenyl)2thioxohexahydropyrimidine5carboxylate
InChI=1SC14H17N3O5Sc132212(18)1011(1513(23)1614(102)19)8469(758)17(20)21h47101119H3H212H3(H2151623)
MFCD02934961
ZINC000004573223
ZINC000245238395
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