Vitas-M small molecule compound
ethyl 2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757076
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)c1ccc(cc1)OC
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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 C27H29BrN2O4 MW 525.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN2O4/c1-5-34-26(32)24-22(16-6-8-17(28)9-7-16)23-20(14-27(2,3)15-21(23)31)30(25(24)29)18-10-12-19(33-4)13-11-18/h6-13,22H,5,14-15,29H2,1-4H3InChIKey
GUVFVCOEPMLMMX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Br)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)OC)N
ethyl2amino4(4bromophenyl)1(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO4(4BROMOPHENYL)1(4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC27H29BrN2O4c153426(32)2422(166817(28)9716)2320(1427(23)1521(23)31)30(25(24)29)18101219(334)131118h61322H5141529H214H3
MFCD01239745
ZINC000003664685
ZINC000003664686
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