Vitas-M small molecule compound
5,5'-[(3,4,5-trimethoxyphenyl)methanediyl]bis(6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Catalog ID
STL418700
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)[nH]c(=S)[nH]c1=O)c1c(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 C18H18N4O7S2 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O7S2/c1-27-7-4-6(5-8(28-2)12(7)29-3)9(10-13(23)19-17(30)20-14(10)24)11-15(25)21-18(31)22-16(11)26/h4-5,9H,1-3H3,(H3,19,20,23,24,30)(H3,21,22,25,26,31)InChIKey
BAOQMIPHLVPZPN-UHFFFAOYSA-NSynonyms
55((345trimethoxyphenyl)methanediyl)bis(6hydroxy2thioxo23dihydropyrimidin4(1H)one)
6HYDROXY5((6HYDROXY4OXO2SULFANYLIDENE1HPYRIMIDIN5YL)(345TRIMETHOXYPHENYL)METHYL)2SULFANYLIDENE1HPYRIMIDIN4ONE
COC1=CC(=CC(=C1OC)OC)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)O
COc1cc(cc(c1OC)OC)C(c1c(O)(nH)c(=S)(nH)c1=O)c1c(O)(nH)c(=S)(nH)c1=O
InChI=1SC18H18N4O7S2c127746(58(282)12(7)293)9(1013(23)1917(30)2014(10)24)1115(25)2118(31)2216(11)26h459H13H3(H31920232430)(H32122252631)
MFCD02221823
ZINC000013452495
ZINC13452495
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