Vitas-M small molecule compound
5,5'-(pyridin-2-ylmethanediyl)bis[1-(butan-2-yl)-6-hydroxy-2-sulfanylpyrimidin-4(1H)-one]
Catalog ID
STL341856
SMILES CCC(n1c(S)nc(=O)c(c1O)C(c1c(=O)nc(n(c1O)C(CC)C)S)c1ccccn1)C
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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 C22H27N5O4S2 MW 489.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O4S2/c1-5-11(3)26-19(30)15(17(28)24-21(26)32)14(13-9-7-8-10-23-13)16-18(29)25-22(33)27(20(16)31)12(4)6-2/h7-12,14,30-31H,5-6H2,1-4H3,(H,24,28,32)(H,25,29,33)InChIKey
OOLNOZIRIVOTCQ-UHFFFAOYSA-NSynonyms
346451-05-61BUTAN2YL5((1BUTAN2YL6HYDROXY4OXO2SULFANYLIDENEPYRIMIDIN5YL)PYRIDIN2YLMETHYL)6HYDROXY2SULFANYLIDENEPYRIMIDIN4ONE
346451056
55(pyridin2ylmethanediyl)bis(1(butan2yl)6hydroxy2sulfanylpyrimidin4(1H)one)
55(pyridin2ylmethylene)bis(1(secbutyl)6hydroxy2mercaptopyrimidin4(1H)one)
6HYDROXY5((6HYDROXY1(METHYLPROPYL)4OXO2THIOXO(13DIHYDROPYRIMIDIN5YL))2PYRIDYLMETHYL)1(METHYLPROPYL)2THIOXO13DIHYDROPYRIMIDIN4ONE
CCC(C)N1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)NC3=O)C(C)CC)O)O
InChI=1SC22H27N5O4S2c1511(3)2619(30)15(17(28)2421(26)32)14(13978102313)1618(29)2522(33)27(20(16)31)12(4)62h712143031H56H214H3(H242832)(H252933)
MFCD04030583
ZINC000009190445
ZINC000137521254
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.