Vitas-M small molecule compound
2-methoxyethyl 4-(4-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK031014
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C26H25BrClNO4 MW 530.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO4/c1-15-23(26(31)33-12-11-32-2)24(17-3-7-19(27)8-4-17)25-21(29-15)13-18(14-22(25)30)16-5-9-20(28)10-6-16/h3-10,18,24,29H,11-14H2,1-2H3InChIKey
XTUMXOQPPWQDGX-UHFFFAOYSA-NSynonyms
5712-98-12methoxyethyl4(4bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(4bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
5712981
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC26H25BrClNO4c11523(26(31)331211322)24(173719(27)8417)2521(2915)1318(1422(25)30)165920(28)10616h310182429H1114H212H3
MFCD01445632
STK031014
ZINC000002926185
ZINC000002926195
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