Vitas-M small molecule compound
2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK376771
SMILES CCOCCOC(=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 C25H32BrNO6 MW 522.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32BrNO6/c1-6-31-8-9-33-24(30)20-14(3)27-17-12-25(4,5)13-18(28)22(17)21(20)15-10-16(26)23(29)19(11-15)32-7-2/h10-11,21,27,29H,6-9,12-13H2,1-5H3InChIKey
BWZRLMYCRACQFD-UHFFFAOYSA-NSynonyms
313244-32-52ethoxyethyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
313244325
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)(C)C)C
InChI=1SC25H32BrNO6c1631893324(30)2014(3)27171225(45)1318(28)22(17)21(20)151016(26)23(29)19(1115)3272h1011212729H691213H215H3
MFCD01367200
ZINC000002082127
ZINC000002082128
ZINC02082128
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