Vitas-M small molecule compound
1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl}[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STK562986
SMILES COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-])c1c(O)nc(=S)n(c1O)CCC1=CCCCC1
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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 C37H47N5O6S2 MW 721.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H47N5O6S2/c1-47-28-13-12-26(22-27(28)23-40-18-20-48-21-19-40)29(30-32(43)38-36(49)41(34(30)45)16-14-24-8-4-2-5-9-24)31-33(44)39-37(50)42(35(31)46)17-15-25-10-6-3-7-11-25/h8,10,12-13,22,29,43,46H,2-7,9,11,14-21,23H2,1H3,(H,38,49)(H,39,44,50)InChIKey
AXBDYPVDYTUURD-UHFFFAOYSA-NSynonyms
1(2(cyclohex1en1yl)ethyl)5((1(2(cyclohex1en1yl)ethyl)46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)4hydroxy6oxo16dihydro
COc1ccc(cc1C(NH+)1CCOCC1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)(S))c1c(O)nc(=S)n(c1O)CCC1=CCCCC1
MFCD04082748
ZINC000150452071
ZINC000150452077
Check stock
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