Vitas-M small molecule compound
{4-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenoxy}acetic acid
Catalog ID
STK678924
SMILES COc1cccc(c1)C1N(c2ccc(cc2)OCC(=O)O)C(=O)C(=C1C(=O)C)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 C21H19NO7 MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7/c1-12(23)18-19(13-4-3-5-16(10-13)28-2)22(21(27)20(18)26)14-6-8-15(9-7-14)29-11-17(24)25/h3-10,19,26H,11H2,1-2H3,(H,24,25)InChIKey
BKQOPOZQZBZWGQ-UHFFFAOYSA-NSynonyms
(4(3acetyl4hydroxy2(3methoxyphenyl)5oxo25dihydro1Hpyrrol1yl)phenoxy)aceticacid
2(4(3ACETYL4HYDROXY2(3METHOXYPHENYL)5OXO2HPYRROL1YL)PHENOXY)ACETICACID
CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)OC)C3=CC=C(C=C3)OCC(=O)O)O
InChI=1SC21H19NO7c112(23)1819(1343516(1013)282)22(21(27)20(18)26)146815(9714)291117(24)25h3101926H11H212H3(H2425)
MFCD03308135
ZINC000004576388
ZINC000004576389
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