Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084152
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(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/c1-13(2)32-7-8-33-24(30)20-14(3)27-17-11-25(4,5)12-18(28)22(17)21(20)15-9-16(26)23(29)19(10-15)31-6/h9-10,13,21,27,29H,7-8,11-12H2,1-6H3InChIKey
QWPNVYHKUXBJBE-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCCOC(C)C
COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(C)C
InChI=1SC25H32BrNO6c113(2)32783324(30)2014(3)27171125(45)1218(28)22(17)21(20)15916(26)23(29)19(1015)316h91013212729H781112H216H3
MFCD02188158
STK084152
ZINC000002774754
ZINC000002774755
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