Vitas-M small molecule compound
pentyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370767
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)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 C26H35NO4 MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO4/c1-6-8-11-14-31-25(29)22-17(3)27-19-15-26(4,5)16-20(28)24(19)23(22)18-12-9-10-13-21(18)30-7-2/h9-10,12-13,23,27H,6-8,11,14-16H2,1-5H3InChIKey
DHDNVEIAQQZEBC-UHFFFAOYSA-NSynonyms
295343-82-7295343827
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO4c16811143125(29)2217(3)27191526(45)1620(28)24(19)23(22)18129101321(18)3072h91012132327H68111416H215H3
MFCD00325298
pentyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002028944
ZINC000002028948
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