Vitas-M small molecule compound
ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK371351
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)[N+](=O)[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 C14H15N3O5S MW 337.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O5S/c1-3-22-13(19)11-7(2)15-14(23)16-12(11)8-4-5-10(18)9(6-8)17(20)21/h4-6,12,18H,3H2,1-2H3,(H2,15,16,23)InChIKey
XULFDOQRTWOEIJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)(N+)(=O)(O))O
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)(N+)(=O)(O))C
ETHYL4(4HYDROXY3NITROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(4hydroxy3nitrophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ETHYL6(4HYDROXY3NITROPHENYL)4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC14H15N3O5Sc132213(19)117(2)1514(23)1612(11)84510(18)9(68)17(20)21h461218H3H212H3(H2151623)
MFCD00395922
ZINC000036128359
ZINC000036128360
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