Vitas-M small molecule compound
pentyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004693
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-7-9-10-13-33-26(30)23-17(3)28-19-15-27(4,5)16-20(29)25(19)24(23)18-11-12-21(32-8-2)22(14-18)31-6/h11-12,14,24,28H,7-10,13,15-16H2,1-6H3InChIKey
CJGQCANRNNNKLU-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC27H37NO5c17910133326(30)2317(3)28191527(45)1620(29)25(19)24(23)18111221(3282)22(1418)316h1112142428H710131516H216H3
MFCD00752919
pentyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK004693
ZINC000002069354
ZINC000002069355
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