Vitas-M small molecule compound
2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK086914
SMILES CSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)c(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 C16H19N3O7S MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O7S/c1-8-12(15(21)26-4-5-27-3)13(18-16(22)17-8)9-6-10(19(23)24)14(20)11(7-9)25-2/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)InChIKey
UVGACNYOLGHBLQ-UHFFFAOYSA-NSynonyms
2(methylsulfanyl)ethyl4(4hydroxy3methoxy5nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate2METHYLSULFANYLETHYL4(4HYDROXY3METHOXY5NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))C(=O)OCCSC
CSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)c(c(c1)(N+)(=O)(O))O
Registry IDs
MFCD03033964ZINC000035961625
ZINC000035961627
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.