Vitas-M small molecule compound
methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK033321
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)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 C20H22BrNO3 MW 404.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO3/c1-11-16(19(24)25-4)17(12-6-5-7-13(21)8-12)18-14(22-11)9-20(2,3)10-15(18)23/h5-8,17,22H,9-10H2,1-4H3InChIKey
QKMSODBVRKUPMX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Br)C(=O)CC(C2)(C)C
methyl4(3bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
Registry IDs
MFCD00717949ZINC000019535975
ZINC000019535978
Check stock
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Check stock on Vitas-MAvailable files
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