Vitas-M small molecule compound
dimethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-5-nitrobenzene-1,4-dicarboxylate
Catalog ID
STK687255
SMILES COC(=O)c1cc([N+](=O)[O-])c(cc1Sc1nc(C)cc(n1)C)C(=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 C16H15N3O6S MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O6S/c1-8-5-9(2)18-16(17-8)26-13-7-10(14(20)24-3)12(19(22)23)6-11(13)15(21)25-4/h5-7H,1-4H3InChIKey
GMEDPCRQBAURGH-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SC2=CC(=C(C=C2C(=O)OC)(N+)(=O)(O))C(=O)OC)C
COC(=O)c1cc((N+)(=O)(O))c(cc1Sc1nc(C)cc(n1)C)C(=O)OC
dimethyl2((46dimethylpyrimidin2yl)sulfanyl)5nitrobenzene14dicarboxylate
DIMETHYL2(46DIMETHYLPYRIMIDIN2YL)SULFANYL5NITROBENZENE14DICARBOXYLATE
InChI=1SC16H15N3O6Sc1859(2)1816(178)2613710(14(20)243)12(19(22)23)611(13)15(21)254h57H14H3
MFCD06618043
ZINC000004745523
ZINC04745523
ZINC4745523
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