Vitas-M small molecule compound

5-[(4,6-dihydroxy-2-sulfanylpyrimidin-5-yl)(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4,6-dihydroxypyrimidine-2-thiolate

Catalog ID
STL150065
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(nc1O)S)c1c(O)nc(nc1O)[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 C27H28N6O5S2 MW 580.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O5S2/c1-38-18-8-7-14(11-16(18)13-33-10-3-2-6-17(33)15-5-4-9-28-12-15)19(20-22(34)29-26(39)30-23(20)35)21-24(36)31-27(40)32-25(21)37/h4-5,7-9,11-12,17,19H,2-3,6,10,13H2,1H3,(H3,29,30,34,35,39)(H3,31,32,36,37,40)
InChIKey
PUGXFCOGWWXSMS-UHFFFAOYSA-N
Synonyms

COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(nc1O)S)c1c(O)nc(nc1O)(S)
MFCD20755736
ZINC000102930272
ZINC000102930275

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Available files

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