Vitas-M small molecule compound
ethyl 4-(4-bromophenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366655
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccc(cc1)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 C22H26BrNO3 MW 432.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO3/c1-5-15-20(21(26)27-6-2)18(13-7-9-14(23)10-8-13)19-16(24-15)11-22(3,4)12-17(19)25/h7-10,18,24H,5-6,11-12H2,1-4H3InChIKey
WGTIFUWEMHRDIA-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C(=O)OCC
ethyl4(4bromophenyl)2ethyl77dimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4bromophenyl)2ethyl77dimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H26BrNO3c151520(21(26)2762)18(137914(23)10813)1916(2415)1122(34)1217(19)25h7101824H561112H214H3
MFCD00367585
ZINC000019314531
ZINC000019314533
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