Vitas-M small molecule compound
butyl 2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370806
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCCC)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/c1-6-8-14-31-25(29)22-17(3)27-19-15-26(4,5)16-20(28)24(19)23(22)18-11-9-10-12-21(18)30-13-7-2/h9-12,23,27H,6-8,13-16H2,1-5H3InChIKey
VMRRVSTVCGTUNH-UHFFFAOYSA-NSynonyms
butyl277trimethyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
butyl277trimethyl5oxo4(2propoxyphenyl)1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCCC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO4c168143125(29)2217(3)27191526(45)1620(28)24(19)23(22)18119101221(18)301372h9122327H681316H215H3
MFCD00325307
ZINC000002066956
ZINC000002066957
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