Vitas-M small molecule compound
ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363329
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)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 C23H28BrNO5 MW 478.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO5/c1-6-29-17-9-13(8-14(24)21(17)27)19-18(22(28)30-7-2)12(3)25-15-10-23(4,5)11-16(26)20(15)19/h8-9,19,25,27H,6-7,10-11H2,1-5H3InChIKey
UWYWQNXNSGBCIO-UHFFFAOYSA-NSynonyms
313244-34-7313244347
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)Br)O
ethyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC23H28BrNO5c162917913(814(24)21(17)27)1918(22(28)3072)12(3)25151023(45)1116(26)20(15)19h89192527H671011H215H3
MFCD01367201
ZINC000000844151
ZINC000000844152
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