Vitas-M small molecule compound
1-(2-chlorophenyl)-5-{[1-(2-chlorophenyl)-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL045131
SMILES COc1ccc(cc1C[NH+]1CCCC1)C(c1c(O)nc(n(c1=O)c1ccccc1Cl)S)c1c(=O)nc(n(c1O)c1ccccc1Cl)[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/c1-45-24-13-12-18(16-19(24)17-38-14-6-7-15-38)25(26-28(41)36-32(46)39(30(26)43)22-10-4-2-8-20(22)34)27-29(42)37-33(47)40(31(27)44)23-11-5-3-9-21(23)35/h2-5,8-13,16,25,41,44H,6-7,14-15,17H2,1H3,(H,36,46)(H,37,42,47)InChIKey
IVJUMZRJPWRPFJ-UHFFFAOYSA-NSynonyms
1(2chlorophenyl)5((1(2chlorophenyl)4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(pyrrolidinium1ylmethyl)phenyl)methyl)6hydroxy4oxo14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCCC1)C(c1c(O)nc(n(c1=O)c1ccccc1Cl)S)c1c(=O)nc(n(c1O)c1ccccc1Cl)(S)
MFCD18248568
ZINC000150449667
ZINC000150449670
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