Vitas-M small molecule compound
4-{4-hydroxy-3-[(4-methoxyphenyl)carbonyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-methoxyphenolate
Catalog ID
STL046753
SMILES COc1cc(ccc1[O-])C1N(CCC[NH+]2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)OC)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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-33-19-7-4-17(5-8-19)24(30)22-23(18-6-9-20(29)21(16-18)34-2)28(26(32)25(22)31)11-3-10-27-12-14-35-15-13-27/h4-9,16,23,29,31H,3,10-15H2,1-2H3InChIKey
NENJGDBHYWNINN-UHFFFAOYSA-NSynonyms
4(4hydroxy3((4methoxyphenyl)carbonyl)1(3(morpholin4ium4yl)propyl)5oxo25dihydro1Hpyrrol2yl)2methoxyphenolate
COc1cc(ccc1(O))C1N(CCC(NH+)2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)OC)O
MFCD03299194
ZINC000020100968
ZINC000020100971
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