Vitas-M small molecule compound
2-phenoxyethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363476
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
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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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-5-34-24-15-19(11-12-22(24)31)26-25(28(33)36-14-13-35-20-9-7-6-8-10-20)18(2)30-21-16-29(3,4)17-23(32)27(21)26/h6-12,15,26,30-31H,5,13-14,16-17H2,1-4H3InChIKey
SGFNEAHMFXEBQJ-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C)O
InChI=1SC29H33NO6c1534241519(111222(24)31)2625(28(33)361413352097681020)18(2)30211629(34)1723(32)27(21)26h61215263031H513141617H214H3
MFCD01193840
ZINC000004067273
ZINC000004067274
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