VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

5-{[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-3-(3-methoxyphenyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate

Catalog ID
STL057525
SMILES COc1cccc(c1)n1c(=S)[nH]c(=O)c(c1[O-])C(c1c(=O)[nH]c(=S)n(c1O)c1cccc(c1)OC)c1ccc(c(c1)C[NH+]1CCCCC1c1cccnc1)OC

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C41H40N6O7S2 MW 792.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N6O7S2/c1-52-29-12-6-10-27(20-29)46-38(50)34(36(48)43-40(46)55)33(35-37(49)44-41(56)47(39(35)51)28-11-7-13-30(21-28)53-2)24-15-16-32(54-3)26(19-24)23-45-18-5-4-14-31(45)25-9-8-17-42-22-25/h6-13,15-17,19-22,31,33,50-51H,4-5,14,18,23H2,1-3H3,
InChIKey
DDDLKIJMGURBAE-UHFFFAOYSA-N
Synonyms

5((6HYDROXY1(3METHOXYPHENYL)4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1IUM1YL)METHYL)PHENYL)METHYL)3(3METHOXYPHENYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
5((6hydroxy1(3methoxyphenyl)4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidin1ium1yl)methyl)phenyl)methyl)3(3methoxyphenyl)6oxo2thioxo1236tetrahydropyrimidin4olate
5((6hydroxy1(3methoxyphenyl)4oxo2thioxo1234tetrahydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)3(3methoxyphenyl)6oxo2thioxo1236tetr
6HYDROXY5((6HYDROXY1(3METHOXYPHENYL)4OXO2SULFANYLIDENEPYRIMIDIN5YL)(4METHOXY3((2PYRIDIN3YLPIPERIDIN1YL)METHYL)PHENYL)METHYL)1(3METHOXYPHENYL)2SULFANYLIDENEPYRIMIDIN4ONE
COC1=C(C=C(C=C1)C(C2=C(N(C(=S)NC2=O)C3=CC(=CC=C3)OC)O)C4=C(N(C(=S)NC4=O)C5=CC(=CC=C5)OC)(O))C(NH+)6CCCCC6C7=CN=CC=C7
COc1cccc(c1)n1c(=S)(nH)c(=O)c(c1(O))C(c1c(=O)(nH)c(=S)n(c1O)c1cccc(c1)OC)c1ccc(c(c1)C(NH+)1CCCCC1c1cccnc1)OC
InChI=1SC41H40N6O7S2c152291261027(2029)4638(50)34(36(48)4340(46)55)33(3537(49)4441(56)47(39(35)51)281171330(2128)532)24151632(543)26(1924)234518541431(45)259817422225h6131517192231335051H45141823H213H3(H434855)(H444956)
MFCD18249817
ZINC000150470124
ZINC000150654742

Check stock

See real-time availability and sample size for STL057525 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS