Vitas-M small molecule compound
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK406639
SMILES CCOc1cc(cc(c1O)Br)C1CC(=O)NC2=C1C(=O)C(C(C2)C)C(=O)OC
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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 C20H22BrNO6 MW 452.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO6/c1-4-28-14-7-10(6-12(21)18(14)24)11-8-15(23)22-13-5-9(2)16(20(26)27-3)19(25)17(11)13/h6-7,9,11,16,24H,4-5,8H2,1-3H3,(H,22,23)InChIKey
YFNQXFWZDSWJQG-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C(=O)C(C(C3)C)C(=O)OC)Br)O
InChI=1SC20H22BrNO6c142814710(612(21)18(14)24)11815(23)221359(2)16(20(26)273)19(25)17(11)13h679111624H458H213H3(H2223)
methyl4(3bromo5ethoxy4hydroxyphenyl)7methyl25dioxo12345678octahydroquinoline6carboxylate
methyl4(3bromo5ethoxy4hydroxyphenyl)7methyl25dioxo134678hexahydroquinoline6carboxylate
MFCD07613260
ZINC000004110571
ZINC000006576664
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