Vitas-M small molecule compound
5-(3,4-dimethoxybenzyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK257531
SMILES COc1cc(ccc1OC)Cc1c([O-])[nH]c(=S)[nH]c1=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 C13H13N2O4S MW 293.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O4S/c1-18-9-4-3-7(6-10(9)19-2)5-8-11(16)14-13(20)15-12(8)17/h3-4,6H,5H2,1-2H3,(H3,14,15,16,17,20)/p-1InChIKey
OTSUKFWMBCOQKE-UHFFFAOYSA-MSynonyms
5((34dimethoxyphenyl)methyl)4oxo2sulfanylidene1Hpyrimidin6olate
5(34dimethoxybenzyl)6oxo2thioxo1236tetrahydropyrimidin4olate
COC1=C(C=C(C=C1)CC2=C(NC(=S)NC2=O)(O))OC
COc1cc(ccc1OC)Cc1c((O))(nH)c(=S)(nH)c1=O
InChI=1SC13H14N2O4Sc1189437(610(9)192)5811(16)1413(20)1512(8)17h346H5H212H3(H31415161720)p1
MFCD08685502
ZINC000009356205
ZINC09356205
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