Vitas-M small molecule compound
1-butyl-5-[(1-butyl-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl){3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}methyl]-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL148275
SMILES CCCCn1c([S-])nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C[NH+]1CCCC(C1)(C)C)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 C32H45N5O5S2 MW 643.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45N5O5S2/c1-6-8-15-36-28(40)24(26(38)33-30(36)43)23(25-27(39)34-31(44)37(29(25)41)16-9-7-2)20-11-12-22(42-5)21(17-20)18-35-14-10-13-32(3,4)19-35/h11-12,17,23,38,41H,6-10,13-16,18-19H2,1-5H3,(H,33,43)(H,34,39,44)InChIKey
VYHLWWMOOCCFGH-UHFFFAOYSA-NSynonyms
1butyl5((1butyl4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(3((33dimethylpiperidinium1yl)methyl)4methoxyphenyl)methyl)6hydroxy4oxo14dihydropyrimidine2thiolate
CCCCn1c((S))nc(=O)c(c1O)C(c1c(O)nc(n(c1=O)CCCC)S)c1ccc(c(c1)C(NH+)1CCCC(C1)(C)C)OC
MFCD20755363
ZINC000101669822
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