Vitas-M small molecule compound
ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK387210
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)O)C(=O)CC(C2)(C)C
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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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-5-26-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(23)9-7-13/h6-9,18,22-23H,5,10-11H2,1-4H3InChIKey
GFDTWMMIHOBFFQ-UHFFFAOYSA-NSynonyms
292852-47-2292852472
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)O)C(=O)CC(C2)(C)C)C
ethyl4(4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC21H25NO4c152620(25)1712(2)22151021(34)1116(24)19(15)18(17)136814(23)9713h69182223H51011H214H3
MFCD00368161
ZINC000000626265
ZINC000000626275
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