Vitas-M small molecule compound
1-benzyl-5-[(3-benzyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl){6-[2-(dimethylammonio)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}methyl]-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL049108
SMILES COc1c2OCOc2cc(c1C(c1c(O)[nH]c(=S)n(c1=O)Cc1ccccc1)c1c(O)nc(n(c1=O)Cc1ccccc1)[S-])CC[NH+](C)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 C35H35N5O7S2 MW 701.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O7S2/c1-38(2)15-14-22-16-23-28(47-19-46-23)29(45-3)24(22)25(26-30(41)36-34(48)39(32(26)43)17-20-10-6-4-7-11-20)27-31(42)37-35(49)40(33(27)44)18-21-12-8-5-9-13-21/h4-13,16,25,41-42H,14-15,17-19H2,1-3H3,(H,36,48)(H,37,49)InChIKey
PNAURGGSQXZTCU-UHFFFAOYSA-NSynonyms
1benzyl5((3benzyl6hydroxy4oxo2thioxo1234tetrahydropyrimidin5yl)(6(2(dimethylammonio)ethyl)4methoxy13benzodioxol5yl)methyl)4hydroxy6oxo16dihydropyrimidine2thiolate
COc1c2OCOc2cc(c1C(c1c(O)(nH)c(=S)n(c1=O)Cc1ccccc1)c1c(O)nc(n(c1=O)Cc1ccccc1)(S))CC(NH+)(C)C
MFCD18249248
ZINC000150427464
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