Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK060727
SMILES CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(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/c1-7-30-19-10-8-18(9-11-19)23-22(25(29)32-13-12-31-16(2)3)17(4)27-20-14-26(5,6)15-21(28)24(20)23/h8-11,16,23,27H,7,12-15H2,1-6H3InChIKey
IIKLQMQUOQGFKK-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(4ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(4ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC(C)C)C
CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(C)C
InChI=1SC26H35NO5c17301910818(91119)2322(25(29)3213123116(2)3)17(4)27201426(56)1521(28)24(20)23h811162327H71215H216H3
MFCD02188188
STK060727
ZINC000008780045
ZINC000008780047
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