Vitas-M small molecule compound
2-methoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK066031
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)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 C26H33NO7 MW 471.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO7/c1-7-32-21-12-17(8-9-20(21)34-16(3)28)23-22(25(30)33-11-10-31-6)15(2)27-18-13-26(4,5)14-19(29)24(18)23/h8-9,12,23,27H,7,10-11,13-14H2,1-6H3InChIKey
NPTFQZABTNULDX-UHFFFAOYSA-NSynonyms
2methoxyethyl4(4(acetyloxy)3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(4acetyloxy3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC)C)OC(=O)C
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CC(C2)(C)C
InChI=1SC26H33NO7c1732211217(8920(21)3416(3)28)2322(25(30)331110316)15(2)27181326(45)1419(29)24(18)23h89122327H710111314H216H3
MFCD02188032
STK066031
ZINC000009968583
ZINC000009968584
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