Vitas-M small molecule compound
ethyl 4-{3-methoxy-4-[(2,4,6-trimethylbenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL174850
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1c(C)cc(cc1C)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 C32H39NO5 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39NO5/c1-9-37-31(35)28-21(5)33-24-15-32(6,7)16-25(34)30(24)29(28)22-10-11-26(27(14-22)36-8)38-17-23-19(3)12-18(2)13-20(23)4/h10-14,29,33H,9,15-17H2,1-8H3InChIKey
TXKDZMGXNMFVQN-UHFFFAOYSA-NSynonyms
438195-84-7438195847
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=C(C=C(C=C4C)C)C)OC)C(=O)CC(C2)(C)C)C
ethyl4(3methoxy4((246trimethylbenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4((246trimethylphenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC32H39NO5c193731(35)2821(5)33241532(67)1625(34)30(24)29(28)22101126(27(1422)368)38172319(3)1218(2)1320(23)4h10142933H91517H218H3
MFCD03073852
ZINC000002777364
ZINC000002777365
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