Vitas-M small molecule compound
4-{4-hydroxy-1-[3-(morpholin-4-ium-4-yl)propyl]-5-oxo-3-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl}phenolate
Catalog ID
STL037331
SMILES [O-]c1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=C1C(=O)c1cccs1)O
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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 C22H24N2O5S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S/c25-16-6-4-15(5-7-16)19-18(20(26)17-3-1-14-30-17)21(27)22(28)24(19)9-2-8-23-10-12-29-13-11-23/h1,3-7,14,19,25,27H,2,8-13H2InChIKey
DOGLQFPTBTXKFR-UHFFFAOYSA-NSynonyms
489398-02-9(O)c1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=C1C(=O)c1cccs1)O
4(4hydroxy1(3(morpholin4ium4yl)propyl)5oxo3(thiophen2ylcarbonyl)25dihydro1Hpyrrol2yl)phenolate
4(4HYDROXY1(3MORPHOLIN4IUM4YLPROPYL)5OXO3(THIOPHENE2CARBONYL)2HPYRROL2YL)PHENOLATE
489398029
4HYDROXY2(4HYDROXYPHENYL)1(3MORPHOLIN4YLPROPYL)3(THIOPHENE2CARBONYL)2HPYRROL5ONE
C1COCCN1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)O
InChI=1SC22H24N2O5Sc25166415(5716)1918(20(26)1731143017)21(27)22(28)24(19)92823101229131123h13714192527H2813H2
MFCD03295605
ZINC000020081928
ZINC000020081932
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