Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK108182
SMILES CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(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 C17H21N3O5S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O5S/c1-4-26-10-9-25-16(21)14-11(2)19(3)17(22)18-15(14)12-5-7-13(8-6-12)20(23)24/h5-8,15H,4,9-10H2,1-3H3,(H,18,22)
InChIKey
YDOVPHYUWUUGRE-UHFFFAOYSA-N
Synonyms
5719-78-8
2(ethylsulfanyl)ethyl16dimethyl4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
2ETHYLSULFANYLETHYL34DIMETHYL6(4NITROPHENYL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
2ETHYLTHIOETHYL34DIMETHYL6(4NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
5719788
CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))C)C
InChI=1SC17H21N3O5Sc14261092516(21)1411(2)19(3)17(22)1815(14)125713(8612)20(23)24h5815H4910H213H3(H1822)
MFCD00785504
ZINC000002755635
ZINC000002755636

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Available files

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