Vitas-M small molecule compound
5-{(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-6-hydroxy-2-sulfanylpyrimidin-4-olate
Catalog ID
STK606011
SMILES COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(nc1O)S)c1c([O-])nc(nc1O)S
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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 C21H23N5O6S2 MW 505.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O6S2/c1-31-12-3-2-10(8-11(12)9-26-4-6-32-7-5-26)13(14-16(27)22-20(33)23-17(14)28)15-18(29)24-21(34)25-19(15)30/h2-3,8,13H,4-7,9H2,1H3,(H3,22,23,27,28,33)(H3,24,25,29,30,34)InChIKey
MMSXWEWBSZZRFY-UHFFFAOYSA-NSynonyms
5((46dihydroxy2sulfanylpyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)6hydroxy2sulfanylpyrimidin4olate
5((6HYDROXY4OXO2SULFANYLIDENE1HPYRIMIDIN5YL)(4METHOXY3(MORPHOLIN4IUM4YLMETHYL)PHENYL)METHYL)4OXO2SULFANYLIDENE1HPYRIMIDIN6OLATE
6HYDROXY5((6HYDROXY4OXO2SULFANYLIDENE1HPYRIMIDIN5YL)(4METHOXY3(MORPHOLIN4YLMETHYL)PHENYL)METHYL)2SULFANYLIDENE1HPYRIMIDIN4ONE
COC1=C(C=C(C=C1)C(C2=C(NC(=S)NC2=O)O)C3=C(NC(=S)NC3=O)(O))C(NH+)4CCOCC4
COc1ccc(cc1C(NH+)1CCOCC1)C(c1c(O)nc(nc1O)S)c1c((O))nc(nc1O)S
InChI=1SC21H23N5O6S2c131123210(811(12)92646327526)13(1416(27)2220(33)2317(14)28)1518(29)2421(34)2519(15)30h23813H479H21H3(H32223272833)(H32425293034)
MFCD08732620
ZINC000009057602
ZINC9057602
Check stock
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Check stock on Vitas-MAvailable files
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