Vitas-M small molecule compound
1-(4-chlorophenyl)-5-{[1-(4-chlorophenyl)-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STK561444
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(=S)n(c1O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)[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 C33H29Cl2N5O5S2 MW 710.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N5O5S2/c1-45-24-13-4-18(16-19(24)17-38-14-2-3-15-38)25(26-28(41)36-32(46)39(30(26)43)22-9-5-20(34)6-10-22)27-29(42)37-33(47)40(31(27)44)23-11-7-21(35)8-12-23/h4-13,16,25,41,44H,2-3,14-15,17H2,1H3,(H,36,46)(H,37,42,47)InChIKey
LLXQTLGUKJHWRN-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)5((1(4chlorophenyl)46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)4hydroxy6oxo16dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(=S)n(c1O)c1ccc(cc1)Cl)c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)(S)
MFCD18243793
ZINC000150450137
ZINC000150450145
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