Vitas-M small molecule compound
1-(2-chlorophenyl)-5-{[1-(2-chlorophenyl)-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL149114
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1ccccc1Cl)[S-])c1c(O)nc(=S)n(c1O)c1ccccc1Cl
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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 C39H34Cl2N6O5S2 MW 801.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H34Cl2N6O5S2/c1-52-30-16-15-22(19-24(30)21-45-18-7-6-12-27(45)23-9-8-17-42-20-23)31(32-34(48)43-38(53)46(36(32)50)28-13-4-2-10-25(28)40)33-35(49)44-39(54)47(37(33)51)29-14-5-3-11-26(29)41/h2-5,8-11,13-17,19-20,27,31,48,51H,6-7,12,18,21H2,1H3,(InChIKey
NRGJJSBXVDCEOG-UHFFFAOYSA-NSynonyms
1(2chlorophenyl)5((1(2chlorophenyl)46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)4hydroxy6oxo16dihydropyrimidine
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1ccccc1Cl)(S))c1c(O)nc(=S)n(c1O)c1ccccc1Cl
MFCD20755534
ZINC000150392205
ZINC000150661367
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