Vitas-M small molecule compound
5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[1-(3-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl]methyl)-3-(3-fluorophenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Catalog ID
STK558895
SMILES COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(=O)nc(n(c1O)c1cccc(c1)F)S)c1c(=O)nc(n(c1[O-])c1cccc(c1)F)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 C36H35F2N5O5S2 MW 719.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35F2N5O5S2/c1-36(2)13-6-14-41(19-36)18-21-15-20(11-12-26(21)48-3)27(28-30(44)39-34(49)42(32(28)46)24-9-4-7-22(37)16-24)29-31(45)40-35(50)43(33(29)47)25-10-5-8-23(38)17-25/h4-5,7-12,15-17,27,46-47H,6,13-14,18-19H2,1-3H3,(H,39,44,49)(H,40,45,50InChIKey
PCUZCCZCYUOHJM-UHFFFAOYSA-NSynonyms
COc1ccc(cc1C(NH+)1CCCC(C1)(C)C)C(c1c(=O)nc(n(c1O)c1cccc(c1)F)S)c1c(=O)nc(n(c1(O))c1cccc(c1)F)S
MFCD04072054
ZINC000150445170
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