Vitas-M small molecule compound
methyl 4-(3,5-dibromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366864
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)cc(c1O)Br)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 C20H21Br2NO4 MW 499.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Br2NO4/c1-9-15(19(26)27-4)16(11-5-10(21)6-12(22)18(11)25)17-13(23-9)7-20(2,3)8-14(17)24/h5-6,16,23,25H,7-8H2,1-4H3InChIKey
JFUAWOAFNCIZKF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC(=C3O)Br)Br)C(=O)OC
InChI=1SC20H21Br2NO4c1915(19(26)274)16(11510(21)612(22)18(11)25)1713(239)720(23)814(17)24h56162325H78H214H3
methyl4(35dibromo2hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(35dibromo2hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00367724
ZINC000096298925
ZINC000096298926
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