Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK364129
SMILES CCSCCOC(=O)C1=C(C)NC(=O)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 C16H19N3O6S MW 381.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O6S/c1-3-26-7-6-25-15(21)13-9(2)17-16(22)18-14(13)10-4-5-12(20)11(8-10)19(23)24/h4-5,8,14,20H,3,6-7H2,1-2H3,(H2,17,18,22)InChIKey
AOPGUOHPNHCGPW-UHFFFAOYSA-NSynonyms
295344-05-72(ethylsulfanyl)ethyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
295344057
2ETHYLSULFANYLETHYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)(N+)(=O)(O))O
CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)(N+)(=O)(O))C
InChI=1SC16H19N3O6Sc1326762515(21)139(2)1716(22)1814(13)104512(20)11(810)19(23)24h4581420H367H212H3(H2171822)
MFCD00365564
ZINC000035948764
ZINC000035948771
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