Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035671
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(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/c1-11(2)30-22(28)18-12(3)25-15-9-23(4,5)10-16(26)20(15)19(18)13-7-14(24)21(27)17(8-13)29-6/h7-8,11,19,25,27H,9-10H2,1-6H3InChIKey
PAJOMZBUVDHRHG-UHFFFAOYSA-NSynonyms
299449-81-3299449813
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC(C)C
COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(C)C
InChI=1SC23H28BrNO5c111(2)3022(28)1812(3)2515923(45)1016(26)20(15)19(18)13714(24)21(27)17(813)296h7811192527H910H216H3
MFCD00717819
propan2yl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK035671
ZINC000000626563
ZINC000000626566
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