Vitas-M small molecule compound

5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[1-(4-ethoxyphenyl)-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl]methyl)-3-(4-ethoxyphenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate

Catalog ID
STK560027
SMILES CCOc1ccc(cc1)n1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)c1ccc(cc1)OCC)S)c1ccc(c(c1)C[NH+]1CCCC(C1)(C)C)OC

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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 C40H45N5O7S2 MW 771.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H45N5O7S2/c1-6-51-28-14-10-26(11-15-28)44-36(48)32(34(46)41-38(44)53)31(24-9-18-30(50-5)25(21-24)22-43-20-8-19-40(3,4)23-43)33-35(47)42-39(54)45(37(33)49)27-12-16-29(17-13-27)52-7-2/h9-18,21,31,48-49H,6-8,19-20,22-23H2,1-5H3,(H,41,46,53)(H,42,
InChIKey
HNTDQGYANSTMDV-UHFFFAOYSA-N
Synonyms

CCOc1ccc(cc1)n1c(S)nc(=O)c(c1(O))C(c1c(=O)nc(n(c1O)c1ccc(cc1)OCC)S)c1ccc(c(c1)C(NH+)1CCCC(C1)(C)C)OC
MFCD04076709
ZINC000150448834

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Available files

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