Vitas-M small molecule compound
5-{[6-hydroxy-1-(3-methylphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl](4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl}-3-(3-methylphenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Catalog ID
STK562769
SMILES COc1ccc(cc1C[NH+]1CCN(CC1)c1ccccc1OC)C(c1c(=O)nc(n(c1O)c1cccc(c1)C)S)c1c(=O)nc(n(c1[O-])c1cccc(c1)C)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 C42H42N6O6S2 MW 790.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N6O6S2/c1-25-9-7-11-29(21-25)47-39(51)35(37(49)43-41(47)55)34(36-38(50)44-42(56)48(40(36)52)30-12-8-10-26(2)22-30)27-15-16-32(53-3)28(23-27)24-45-17-19-46(20-18-45)31-13-5-6-14-33(31)54-4/h5-16,21-23,34,51-52H,17-20,24H2,1-4H3,(H,43,49,55)(InChIKey
KXBKDRLGUCGTAD-UHFFFAOYSA-NSynonyms
COc1ccc(cc1C(NH+)1CCN(CC1)c1ccccc1OC)C(c1c(=O)nc(n(c1O)c1cccc(c1)C)S)c1c(=O)nc(n(c1(O))c1cccc(c1)C)S
MFCD04078486
ZINC000150451602
Check stock
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Check stock on Vitas-MAvailable files
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