Vitas-M small molecule compound
2-ethoxyethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363345
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)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 C25H32BrNO6 MW 522.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32BrNO6/c1-7-32-8-9-33-24(29)21-14(2)27-17-12-25(3,4)13-18(28)23(17)22(21)15-10-19(30-5)20(31-6)11-16(15)26/h10-11,22,27H,7-9,12-13H2,1-6H3InChIKey
DPBOOZCLQYRRIG-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H32BrNO6c1732893324(29)2114(2)27171225(34)1318(28)23(17)22(21)151019(305)20(316)1116(15)26h10112227H791213H216H3
MFCD01191831
ZINC000002955486
ZINC000002955613
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