Vitas-M small molecule compound
5-{[6-hydroxy-1-(3-methoxyphenyl)-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-methoxyphenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Catalog ID
STL039557
SMILES COc1cccc(c1)n1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)c1cccc(c1)OC)S)c1ccc(c(c1)C[NH+]1CCN(CC1)c1ccccc1OC)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 C42H42N6O8S2 MW 822.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42N6O8S2/c1-53-29-11-7-9-27(22-29)47-39(51)35(37(49)43-41(47)57)34(36-38(50)44-42(58)48(40(36)52)28-10-8-12-30(23-28)54-2)25-15-16-32(55-3)26(21-25)24-45-17-19-46(20-18-45)31-13-5-6-14-33(31)56-4/h5-16,21-23,34,51-52H,17-20,24H2,1-4H3,(H,43,4InChIKey
LVPFMOKDOHOJEM-UHFFFAOYSA-NSynonyms
COc1cccc(c1)n1c(S)nc(=O)c(c1(O))C(c1c(=O)nc(n(c1O)c1cccc(c1)OC)S)c1ccc(c(c1)C(NH+)1CCN(CC1)c1ccccc1OC)OC
MFCD04076588
ZINC000150440789
Check stock
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Check stock on Vitas-MAvailable files
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