Vitas-M small molecule compound
pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004972
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-6-8-9-12-32-25(30)22-16(3)27-18-14-26(4,5)15-20(29)24(18)23(22)17-10-11-19(28)21(13-17)31-7-2/h10-11,13,23,27-28H,6-9,12,14-15H2,1-5H3InChIKey
DJCKEZFRDIUEGL-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO5c1689123225(30)2216(3)27181426(45)1520(29)24(18)23(22)17101119(28)21(1317)3172h101113232728H69121415H215H3
MFCD00753223
pentyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK004972
ZINC000002055329
ZINC000002055330
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