Vitas-M small molecule compound

methyl 2-{[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]amino}-4,5-dimethoxybenzoate

Catalog ID
STL420827
SMILES COC(=O)c1cc(OC)c(cc1NS(=O)(=O)c1c(C)nc([nH]c1=O)O)OC

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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 C15H17N3O8S MW 399.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O8S/c1-7-12(13(19)17-15(21)16-7)27(22,23)18-9-6-11(25-3)10(24-2)5-8(9)14(20)26-4/h5-6,18H,1-4H3,(H2,16,17,19,21)
InChIKey
MTNULYJQZYSARB-UHFFFAOYSA-N
Synonyms

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
COC(=O)c1cc(OC)c(cc1NS(=O)(=O)c1c(C)nc((nH)c1=O)O)OC
InChI=1SC15H17N3O8Sc1712(13(19)1715(21)167)27(2223)189611(253)10(242)58(9)14(20)264h5618H14H3(H216171921)
methyl2(((2hydroxy4methyl6oxo16dihydropyrimidin5yl)sulfonyl)amino)45dimethoxybenzoate
methyl45dimethoxy2((6methyl24dioxo1Hpyrimidin5yl)sulfonylamino)benzoate
MFCD27595486
ZINC000033327158
ZINC33327158

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.